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Assay Management in Aspen HYSYS

Petroleum Refining

Reference Guide
Version Number: V8.8
May 2015
Copyright (c) 1981-2015 by Aspen Technology, Inc. All rights reserved.

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Contents

Contents iii

1 About the HYSYS Petroleum Assay Manager 1


Centroid Point 2

2 Adding Assays 5
Importing Assays from the Assay Library 5
Importing Assays from a File 6
Entering Assay Data Manually 7
Aspen HYSYS Refining Unit Tags 8
Assay Library 10

3 Working with the Petroleum Assays Form 11


Displaying Assay Description Columns 11
Downloading Assays 12
Copying Assays 12
Exporting Assays 13
Defining Cut Properties 13
Adding Cut Properties 13
Modifying Cut Properties 13
Removing Cut Properties 14
Generating Plots 14
Generating a Distillations Plot 15
Generating a Cut Properties Plot 15
Generating a Viscosities Plot 15
Generating a Cut Yields Plot 16
Generating a PNA Plot 16
Generating a Properties Plot 17
Generating a Cut Viscosities Plot 17
Generating an MC Property Profile Plot 17
Generating a Residual Plot 18
Generating a Molecule Distribution Plot 18
Assay Plot Types 19
Distillations Plot 19
Cut Properties Plot 20
Viscosities Plot 20

Contents iii
Cut Yields Plot 20
MC Property Profile Plot 21
Molecule Distribution Plot 21
PNA/MC PNA Plot 21
Properties Plot 23
Residual Plot 24
Segment Probability Distribution Plot 24
Cut Viscosities Plot 24
Editing Guide Points 25
Plot Layout Arrangement 27

4 Working with Individual Assays 37


Working with the Assay Properties Summary Form 37
Completing the Description Tab 37
Completing the Details Tab 38
Working with the Input Assay Form 40
Completing the Input Summary Tab 41
Defining Assay Cuts 41
Defining Assay Properties 42
Entering Assay Data 44
Completing the Pure Component Tab 44
Defining Assay Cuts 45
Defining Pure Components 46
Entering Assay Data 49
Completing the Distillation Data Tab 50
Defining Assay Cuts 51
Specifying Distillation Percentage 52
Entering Assay Data 53
Working with the Conventional Results/Molecular Results Form 54
Generating Plots 55
Generating a Distillations Plot 55
Generating a Viscosities Plot 56
Generating a Cut Yields Plot 56
Generating an MC Property Profile Plot 57
Generating a Molecule Distribution Plot 57
Generating a PNA Plot 58
Generating a Properties Plot 58
Generating a Residual Plot 59
Generating a Segment Probability Distribution Plot 59
Generating a Cut Viscosities Plot 60
Displaying %Volume X-Axis 60
Showing the Data Match in a Plot 61

5 Assay Management User Interface 63


Forms Overview 63
Assay Properties Summary Form 63
Conventional Results/Molecular Results Form 65
Component Manager Form 66

iv Contents
Download Assays Form 67
Petroleum Assays Form 68
Input Assay Form 70
BackBlending Form 72
Completing the Light Streams Tab 73
Completing the Heavy Streams Tab 73
Molecular Methods Form 74
Property Manager Form 80
Dialog Boxes Overview 81
Add Assay Dialog Box 82
Add Assay to Custom Library Dialog Box 83
Add Cuts Dialog Box 83
Annotation Editor Dialog Box 84
Build Assay Library Offline Complete Dialog Box 85
Define Cut Dialog Box 87
Display Assay Description Dialog Box 87
Edit Formula Panel 88
Edit User Defined Methods Dialog Box 89
Flash Assay Data for Whole Crude Dialog Box 91
Guide Point Table Dialog Box 92
Import Assay Data from Files Dialog Box 93
Migrate Custom Library Dialog Box 94
Modify Temperature Dialog Box 95
New Assay Dialog Box 95
New Property Dialog Box 97
Options Dialog Box 99
Property Details Dialog Box 99
Property Pop-up Window 101
Regression Specification Pop-up Window 102
Run Regression Dialog Box 103
Search Profile Dialog Box 104
Select Assay Dialog Box 105
Select Class Dialog Box 105
Select Property Dialog Box 106
Temperature Range Dialog Box 107
Context Menu Options 108
Tabs 108
Forms 109
Plots 111

6 Characterizing Assays 113


Performing Characterization 114
Characterizing Assays from the Navigation Pane 115
Characterizing Assays from the Petroleum Assays Form 116
Characterizing Assays from the Input Assay Form 117
Characterizing Assays with the Molecular Method 118
Performing Flash Assay Characterization 119
Improving Characterization Results 120
Using Guide Points 120

Contents v
Changing Property Methods 120
Molecular Characterization 121
Molecular Profile Evaluation 123
Molecular Profile Optimization 125
Saving a Profile 135
Segments and Compounds 136
Initial Parameter Values for Molecular Characterization 137

7 Assay Management Property Library Overview 141


Adding Properties from a File 141
Adding a Formula-Property Manually 142
Editing Assay Properties 142
Editing Methods from the Assay Property Manager Form 143
Exporting Assay Properties 143
Pure Components Can Be Predicted Without Input 144

8 Property Group Table 147

9 Property Calculations 157


Physical and Transport Properties 157
Centroid Boiling Point 158
Standard Liquid Density 158
Molecular Weight 159
Specific Volume 159
Liquid Density @ X C 159
Dynamic and Kinematic Viscosity @ X C 159
Petroleum Properties 159
Mass Blend 160
Mole Blend 160
Volume Blend 160
Index Blend 160
Healy Blend for RON and MON 161
Burning Characteristic Properties 162
MON Clear 162
RON Clear 163
DON Clear 163
RON Leaded 163
MON Leaded 164
DON Leaded 164
Cetane Number 164
Smoke Point 164
Luminometer Number 164
Index Properties 164
Viscosity Index 165
RVP Index 165
Cloud Point Index 165
Pour Point Index 166
Flash Point Index 166
Diesel Index 166

vi Contents
Penetration Index 166
Refractive Index 166
Cetane Index 167
Smoke Point Index 168
Freeze Point Index 168
Cold Properties 168
Freeze Point 168
Pour Point 169
Cloud Point 169
Cloud Filter Plug Point 169
Softening Point 169
Penetration 170
Flammability Properties 170
Flash Point 170
Reid Vapor Pressure (RVP) 170
True Vapor Pressure 171
PONA and Composition Properties 171
Aromatics by Volume 174
Aromatics by Weight 174
Naphthenes by Volume 174
Naphthenes By Weight 174
Paraffins by Volume 174
Paraffins by Weight 174
Saturates by Volume 174
Saturates by Weight 174
Resins By Volume 174
Resins by Weight 174
Hydrogen by Weight 174
Carbon by Weight 174
C To H Ratio by Weight 175
Thiophenes by Volume 175
Thiophenes by Weight 175
CsubA by Weight 175
CsubP by Weight 175
CsubN by Weight 175
Arom-1RingByWt 175
Arom-2RingByWt 175
AROM-3RINGBYWT 175
AROM-4RINGBYWT 175
AROM-4+RINGBYWT 175
NAPHTHENES-1RINGBYWT 176
NAPHTHENES-2RINGBYWT 176
Naphthenes-3RingByWt 176
Naphthenes-4RingByWt 176
Naphthenes-4+RingByWt 176
HydroArom-1A1NByWt 176
HydroArom-1A2NByWt 176
HydroArom-1A3NByWt 176
HydroArom-1A3+NByWt 176

Contents vii
HydroArom-Naphthalene1NByWt 176
HydroArom-FluoreneByWt 177
HydroArom-2A2NByWt 177
HydroArom-2A2+NByWt 177
HydroArom-3A1+NByWt 177
HydroArom-3A1NByWt 177
HydroArom-3+AByWt 177
NeutralNitrogen-0A0NByWt 177
NeutralNitrogen-1AByWt 177
NeutralNitrogen-2AByWt 177
NeutralNitrogen-3AByWt 178
NeutralNitrogen-1NByWt 178
NeutralNitrogen-2NByWt 178
NeutralNitrogen-3NByWt 178
NeutralNitrogen-1A1NByWt 178
NeutralNitrogen-2A1NByWt 178
NeutralNitrogen-1A2NByWt 178
NeutralNitrogen-2A1+NByWt 178
NeutralNitrogen-1A2+NByWt 178
NeutralNitrogen-3+AByWt 179
NeutralNitrogen-0A3+NByWt 179
BasicNitrogenRing-0A0NByWt 179
BasicNitrogenRing-0A3+NByWt 179
BasicNitrogenRing-1AByWt 179
BasicNitrogenRing-1A1NByWt 179
BasicNitrogenRing-1A2NByWt 179
BasicNitrogenRing-1A2+NByWt 179
BasicNitrogenRing-2AByWt 179
BasicNitrogenRing-2A1NByWt 180
BasicNitrogenRing-2A1+NByWt 180
BasicNitrogenRing-3AByWt 180
BasicNitrogenRing-3+AByWt 180
BasicNitrogenRing-1NByWt 180
BasicNitrogenRing-2NByWt 180
BasicNitrogenRing-3NByWt 180
Thiophenes-0A0NByWt 180
Thiophenes-0A3+NByWt 180
Thiophenes-1AByWt 181
Thiophenes-1A1NByWt 181
Thiophenes-1A2NByWt 181
Thiophenes-1A2+NByWt 181
Thiophenes-1NByWt 181
Thiophenes-2AByWt 181
Thiophenes-2A1NByWt 181
Thiophenes-2A1+NByWt 181
Thiophenes-2NByWt 181
Thiophenes-3AByWt 181
Thiophenes-3NByWt 182
Thiophenes-3+AByWt 182

viii Contents
AromaticCarbon_Ca 182
NaphthenicCarbon_Cn 182
Carbon by Weight 182
Other Properties 182
AnilinePoint 183
AnilineGravityProduct 183
AromaticityFactor 183
N+2A 183
N+A 183
VABP 183
WABP 183
WatsonK 184
Contaminants Group Properties 184
Yields Group Properties 185
References 186

Index 189

Contents ix
x Contents
1 About the HYSYS Pet-
roleum Assay Manager

In a refinery, a typical crude oil stream consists of the following char-


acteristics:

l A mixture of many naturally occurring hydrocarbons with boiling points


ranging from -160 °C (Methane) to more than 1500 °C.
l Heavy fractions that are not mixtures of discretely identifiable com-
ponents. These heavy fractions are often lumped together and identified
as the plus-fraction starting from C7+ to C12+.
Note: When using Petroleum Assay Manager, hypothetical components are always used
for C6 and above. If you specify pure components for C6 and above, they will be mapped
to hypothetical components as properties.

Each crude oil has unique molecular and chemical characteristics, and no two
crude oil types are identical. A proper description of the physical properties of
the plus-fractions is essential for reliable phase behavior calculations and com-
positional modeling studies. Assay data helps you determine whether a crude
oil feedstock is compatible with a particular petroleum refinery or if the crude
oil could cause problems in yield, quality, production, or environmental issues.

The Assay Manager lets you manage petroleum assay data in Aspen HYSYS Pet-
roleum Refining.  Assays can be added to the case from a variety of sources
and characterized.  Properties required in the simulation can then be calculated
according to the specified Fluid Package.  

Note: Do not use petroleum assays within the PVT environment.

1 About the HYSYS Petroleum Assay Manager 1


The Assay Libraries

Aspen HYSYS Petroleum Refining ships with over 200 pre-characterized


assays that you can copy and edit to match your needs. They are organ-
ized by region of origin, country, characteristics, (sweet or sour, heavy,
medium, light, and so on), and you can easily add them to your case
from the Petroleum Assay controls or from the Assay Management rib-
bon.
Library assays also contain components lists and property package con-
figurations. Adding a library assay automatically adds these essential
basis elements to the case.

Downloading Assays

Aspen HYSYS Petroleum Refining lets you download assays from cor-
porate or national sources outside of AspenTech. Use the Down-
load Assays icon on the Assay Management ribbon to browse for
available assays.

Centroid Point
In Aspen HYSYS Refining, the centroid boiling point of the cuts, represented by
hypocomponents initial boiling points (IBPs) and final boiling points (FBPs), and
their yields are calculated by plotting the boiling point curves of the cuts in the
crude oil stream versus their yields.

Each cut is identified by an initial and final boiling point temperature. The
centroid point is the boiling point temperature associated with the mid percent-
yield of the corresponding cut. The mid percent-yield is the half-way % volume
point between the % volume of the initial and final boiling point.

Refer to the figure below:

2 1 About the HYSYS Petroleum Assay Manager


Note: The final boiling point temperature is assigned as the boiling point temperature for
the hypocomponent. The centroid boiling point is used to estimate the physical properties
of the component.
1. Steps #2 and #3 are repeated to generate the boiling point tem-
peratures for all of the hypocomponents.
2. For library components, the centroid boiling temperature is set to their
normal boiling point.

1 About the HYSYS Petroleum Assay Manager 3


4 1 About the HYSYS Petroleum Assay Manager
2 Adding Assays

You can import existing crude assay library files, or import assay data files in
supported industry formats. You can also create an assay by entering the cuts
and boiling points manually.

l Import assays from assay libraries


l Import assays from ASCII files
l Enter assay data manually
Assays are added under Petroleum Assays in the Properties Environment nav-
igation pane.

HYSYS or Aspen Plus Components on Import


You can set a default to import all petroleum assays using Aspen Plus or HYSYS
components. You can also set the default to prompt you for the component
type for every import.

To set the default, go to the Home Ribbon | Petroleum Assays icon. Click
the tiny arrow under the icon. Use the Assay Properties drop-down list to set
the option. Close the box to finish.

Importing Assays from the


Assay Library
You can add pre-characterized assays from the HYSYS Petroleum Refining
assay libraries. The imported assay also brings its own fluid package, which is
added to the Properties Environment.

To add assays by importing from the assay library:

1. From the Home ribbon tab, click the Petroleum Assays button.


2. On the Petroleum Assays form, click Add | Import From Library.
The Add Assay dialog box appears.
3. From the Add Assay dialog box, select the desired assay(s).
4. Click OK to import the selected assay(s) to the new case.

2 Adding Assays 5
When the import finishes successfully, assays appear as sub-nodes in the Pet-
roleum Assay tree view. The laboratory assay data and characterization results
will be available from the Input Assay form and Conventional Res-
ults/Molecular Results form respectively.

Notes:
l
If you attempt to re-characterize library assays that are already associated with a
good profile, a warning message will appear. If you select OK, your evaluation will
run, and a message will appear, notifying you that the molecular profile used for
the assay does not provide acceptable results.
l
The assays in the Library are regressed using raw experimental data. Since HYSYS
cannot publish raw data, the input data for the library assays is calculated using a
much smaller cut range. As a result, we do not recommend that you characterize
the library assays using Molecular Characterization, since the Molecular Char-
acterization regression will use this calculated data in the regression, which can
sometimes lead to errors.

HYSYS or Aspen Plus Components on Import


You can set a default to import all petroleum assays using Aspen Plus or HYSYS
components. You can also set the default to prompt you for the component type
for every import.

To set the default, go to the Home Ribbon | Petroleum Assays icon. Click
the tiny arrow under the icon. Use the Assay Properties drop-down list to set
the option. Close the box to finish.

Importing Assays from a File


External assay data files that you want to import must be in one of several sup-
ported formats. The formats are listed in the Import Assay from Files dialog
box Assay Data Format drop down list. External assay files may be those you
downloaded from one of the supported external websites.

To import external assays:

1. Perform one of the following tasks:


o On the Assay Management ribbon, select New Assay |
Import from File in the Assay group.
-or-
o On the Petroleum Assays form, click Add | Import From
File.
The Import Assay Data from Files dialog box appears.
2. Enter the required information in the Import Assay Data from Files
dialog box.
3. Click Import. If the selected assay file has multiple sheets, the Selec-
ted Assays to be Imported dialog box appears.
4. Select the assay sheet(s) you want to import and click Import. The

6 2 Adding Assays
Aspen Assay Management dialog box appears to show the progress of
the import.
The successfully imported assays will be available under the Petroleum
Assays node in the Navigation Pane. The experimental assay data will be avail-
able on the Input Assay form.

Note:
l
When you import from a .csv file in the Aspen HYSYS Petroleum Refining (formerly
known as RefSYS) format, HYSYS bypasses the assay management char-
acterization and transfers your data directly into the property slate of the stream.
If the .csv file includes a viscosity at a temperature that is not one of the Aspen
HYSYS Petroleum Refining standard anchor points, HYSYS will create a user prop-
erty to represent that property.
l
When importing a .csv assay, Centroid Boiling Temperature may be one of the
assay properties. In order to import the file, Centroid Boiling Temperature is
added to the Input Summary table. If the CSV assay is to be re-characterized,
we recommend that you remove Centroid Boiling Temperature from the input
table, since it is typically calculated using cut temperatures.

HYSYS or Aspen Plus Components on Import


You can set a default to import all petroleum assays using Aspen Plus or HYSYS
components. You can also set the default to prompt you for the component
type for every import.

To set the default, go to the Home Ribbon | Petroleum Assays icon. Click
the tiny arrow under the icon. Use the Assay Properties drop-down list to set
the option. Close the box to finish.

Entering Assay Data Manually


To create an assay by entering data manually:

1. Perform one of the following tasks:


o Click New Assay on the Assay Management ribbon, and select
Manually Enter from the sub-menu.
o Right-click the Petroleum Assays node in the Navigation Pane
and select Add New Assay from the context menu.
Or
o On the Petroleum Assays form, click Add | Manually Enter.
The New Assay dialog box displays.
2. Enter a name for the new assay in the New Assay dialog box.
3. If you want to enter heavy and light stream data for the assay, select the
BackBlending check box.
4. Select a Fluid Package to apply to the assay. You can pick one from the
list or click <Create New> to create a new one.

2 Adding Assays 7
Note: If no fluid packages have been created for the new assay, HYSYS auto-
matically creates and attaches a preset petroleum fluid package to the assay with
default components and hypotheticals. This applies to all options to create a new
assay unless you import a .CSV file or a third party assay.
5. Select the assay type: Multi Cut Properties, Single Stream Prop-
erties, or Back Blending.
o Multi Cut Properties - lets you enter cuts with their initial and
final boiling points.
o Single Stream - lets you define the distillation percent and tem-
perature of individual streams.
o Back Blending - Back blending lets you define feed streams by
blending their associated products. The input products are typ-
ically defined in commercial distillations that have significant
overlap across products. Backblending creates an assay from
these overlapping measurements that can be used as a HYSYS
Petroleum Refining feed stream.
When you have completed the manual data entry for the new assay, it is
added to the Petroleum Assays list in the Properties environment. You
may be prompted to enter other basic information before you can char-
acterize the new assay.

Aspen HYSYS Refining Unit


Tags
Note: Tags are case sensitive. You must use the correct name for Aspen HYSYS Refining
to recognize the unit tags in the PIMS assay file.

In a PIMS assay file, there are commands to designate units to the variable val-
ues. In the command, you must use the correct unit tag name recognized by
Aspen HYSYS Refining.

The following table is the Aspen HYSYS Refining unit tag, along with the descrip-
tion of which units the tag represents:

Tag Name = Unit Tag Name = Unit Tag Name = Unit

kPa = kilo pascals MPa = psia = pounds per square bar = bar
mega pascals inch absolute mbar = millibar

psi = pound per square N/m2 = newton per square lbf/ft2 = pounds-force per
inch meter square foot

8 2 Adding Assays
kg/cm2 = kilogram per torr = millimeter of mer- atm = technical atmo-
square centimeter cury sphere
mmHg = millimeter of mer- at = physical
cury atmosphere

cmH2O(4C) = inHg(32F) = inch of mer- MJ/h = mega joule per


centimeter of water at 4 cury at 32 degrees Fahren- hour
degrees Celsius heit kJ/min = kilo joule per
inH2O(60F) = inch of inHg(60F) = inch of mer- minute
water at 60 degrees cury at 60 degrees Fahren- kJ/s = kilo joule per
Fahrenheit heit second

kW = kilo watt kcal/h = kilo calories per Btu/h = British thermal


MW = mega watt hour unit per hour
cal/h = calories per hour MMBtu/hr = millions of
British thermal unit per
hour

hp = horse power Mkcal/h = mega kilo cal- kgmole/m3 = kilogram


ories per hour mole per cubic meter

C = Celsius gmole/L = gram mole per lbmole/ft3 = pound


litre mole per cubic foot

K = Kelvin g/cm3 = gram per cubic cen- lb/ft3 = pound per cubic
timeter foot

F = Fahrenheit API = American Petroleum SG_60/60api =


Institute standard gravity

R = Rankine cP = centipoise dyne/cm = dyne per cen-


mP = millipoise timeter
microP = micropoise dyn/cm = dyne per cen-
timeter

cSt = centistokes Pa-s = pascal second lbf/ft = pound force per


foot

kgmole/min = kilogram lbmole/hr = pound mole per MMSCFH = million stand-


mole per minute hour ard cubic feet per minute
gmole/h = gram mole per lbmole/h = pound mole per MMSCFD = million stand-
hour hour ard cubic feet per day

g/s = gram per second tonne/d = metric tonne per lb/hr = pound per hour
kg/d = kilogram per day day klb/day = kilo pound per
tonne/h = metric tonne per day
hour

tn(short)/h = short ton per m3/h = cubic meter per L/d = litre per day
hour hour

barrel/day = barrel per day kbpd = thousand USGPM = US gallons per


barrels per day minute

2 Adding Assays 9
ft3/day = cubic feet per in = inch miles = mile
day

m = meter ft = feet km/h = kilometer per


hour

ft/s = feet per second MPH = miles per hour seconds = second

weeks = week months = month years = year

days = day hours = hour minutes = minute

Assay Library
The assay library stores the available assays that are delivered with the
product. These assays contain fully characterized data that have been
developed using publicly available data together with appropriate mathematical
models.

Assay Management has two built-in assay libraries, Aspen Assay Library and
a default System Custom Library. You are also allowed to create additional cus-
tom assay libraries.

The Aspen Assay Library contains a large number of assays for crudes com-
monly traded around the world. These assays are regularly updated with the
latest information when they become available. Currently, the Aspen Assay
Library contains more than 600 unique assays that have been characterized
using lab assay data licensed from PennEnergy Research and Eni S.p.A.

Assay Management provides various built-in plots. These plots can be used to
visualize the quality of assay data, characterization results, and to compare dif-
ferent assays and properties.

Additional custom assay libraries can reside on a personal computer as well as


on any computer or server on the network. People who have access to the
server or to the computer where the libraries reside can access any library file.
By default, the creator of the assay library has read/write privileges. Other
people who can access a library only have read privilege.

Data in the Aspen Assay Library cannot be updated directly. However, you can
bring any assay you want to update into the Model Assays environment and
modify it using more recent data. You can then re-characterize the assay and
save it to your own custom assay library.

Note: Re-characterizing assays from the built-in libraries is allowed but not recom-
mended. If you do so, the characterization results can be somewhat different because the
original assay data is not used.

10 2 Adding Assays
3 Working with the Pet-
roleum Assays Form

The Petroleum Assays form provides an overall view of the assays in the
open case. Once an assay is created in the case, the assay will be listed on the
Petroleum Assays form.

Using the Petroleum Assays form, you can:

l Display the Assay Description


l Define cut properties
l Generate plots

Displaying Assay Description


Columns
You can add or remove columns to display more basic information for each
assay in the Petroleum Assays form.

To display assay descriptions in the Petroleum Assays form:

1. Select the Petroleum Assays node.


2. In the Petroleum Assays form, right-click on a property column
header, and select Display Assay Description from the context menu.
3. Select the desired assay descriptions in the Display Assay Descrip-
tion dialog box.
4. Click OK. The selected assay descriptions will display in the Petroleum
Assays form.
To remove the assay descriptions from the Petroleum Assays form, deselect
the assay description items from the Display Assay Description dialog box.

3 Working with the Petroleum Assays Form 11


Downloading Assays
You can download assay data for a wide range of crudes available publicly from
external sources.

Note: The assay download functionality is inactive and the Download Assays button on
the Assay Management ribbon is unavailable when using the spot crude evaluation.

To download assays:

1. On the Assay Management ribbon, click Download Assays. The


Download Assays form appears in the data browser.
2. On the Download Assays form, select the check box of the desired
assays and click Download Assays.
The Assay Download Confirmation dialog box prompts you to read
the terms and conditions of the selected external sources.
3. In the Assays Download Confirmation dialog box, select the data
sources for which you have reviewed the applicable terms and con-
ditions, and click Start Download.
A Download Assays Progress dialog box appears, showing the status
of the download.
Downloaded assays will be added to Assay Management and displayed under
the Petroleum Assays node in the navigation pane. You can review, edit and
characterize the downloaded assays according to your needs. A copy of the
Excel file, which contains the assay data for each assay (crude) downloaded
from the external site, is also saved to your local computer. The download pro-
gress status dialog box indicates the location of these files.

Copying Assays
You can copy an assay or assays in the Petroleum Assay view Assay Sum-
maries field.

To copy assays:

1. Expand the Petroleum Assays node in the Navigation Pane.


2. In the Petroleum Assays view, select the assay(s) you want to copy.
3. Click the Copy button at the bottom of the Petroleum Assays form.
The copy or copies appear under the Petroleum Assays node, named
as Copy of AssayName.
Alternatively, you can right-click the desired assay sub-node and then select
Copy from the context menu. When you use this method, only one assay can
be copied each time.

12 3 Working with the Petroleum Assays Form


Exporting Assays
You can save selected assays as Aspen Assay Management case files (.afam).

To export assays:

1. Click the Petroleum Assays node to open the Petroleum Assays


form in the data browser.
2. Select the assay(s) you want to export and click the Export button at the
bottom of the Petroleum Assays form.
The Save dialog box appears.
3. Specify the file location and enter the File name, and then click Save.

Defining Cut Properties


By default, Petroleum Assays displays the standard liquid density, Sulfur con-
tent, kinematic viscosity at 100 °F, and Watson K factor of the whole crude for
each assay. Other properties of the whole crude or any cuts, as defined by tem-
perature interval, can be added.

You can define which cut properties appear on the Petroleum Assays form
by:

l Adding cut properties


l Modifying cut properties
l Removing cut properties

Adding Cut Properties


To add a cut property:

1. Click the Petroleum Assays node in the navigation pane.


The Petroleum Assays form appears in the data browser.
2. In the Petroleum Assays form, right-click a property column header,
and select Add Cut Property from the context menu.
The Cut Property dialog box appears.
3. Enter the required information in the Cut Property dialog box.
4. Click Add to Grid after entering the necessary information. The new cut
property column appears on the Petroleum Assays form.
You can adjust the position of the new column by dragging the column header.

Modifying Cut Properties


To modify a cut property:

3 Working with the Petroleum Assays Form 13


1. Click the Petroleum Assays node to open the Petroleum Assays
form in the data browser.
2. In the Petroleum Assays form, right-click the column header of the
property you want to modify, and select Edit Cut Property from the
context menu.
The Cut Property dialog box appears.
3. Modify the settings in the Cut Property dialog box.
4. Click Update. The modified cut property appears on the Petroleum
Assays form.
Note: The Assay, Status, Density, Sulfur, Viscosity and Watson K are
default columns on the Petroleum Assays form and cannot be modified.

Removing Cut Properties


To remove a cut property column from the Petroleum Assays form:

1. Click the Petroleum Assays node to open the Petroleum Assays


form in the data browser.
2. In the Petroleum Assays form, right-click the column header of the cut
property you want to delete, and select Remove Cut Property from
the context menu.
The cut property will be removed from the Petroleum Assays form.
Notes:
o Density, Sulfur, Viscosity, and Watson K are default properties
and cannot be removed from the Petroleum Assays form.
o You cannot undo the removal.

Generating Plots
From the Petroleum Assays form, you can generate the following plots for
the characterized assays:

l Cut Properties plot


l Cut Viscosities plot
l Cut Yields plot
l Distillations plot
l PNA plot
l Properties plot
l Viscosities plot
If there are molecular characterized assays in the Assays Summary form, the
following plots will be available:

l MC PNA plot
l MC Property Profile plot

14 3 Working with the Petroleum Assays Form


l Residual plot
l Molecule Distribution plot
When a plot type is selected, Assay Management determines what to display on
the X and Y axes depending on the mouse focus. A blank plot is generated if the
system cannot determine what to display on the X and Y axes.

You can customize the layout of the plot.

Generating a Distillations Plot


Before you start
Ensure the assays are characterized.

To generate a Distillations plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the desired assays. Press Ctrl or Shift on
the keyboard to multi-select assays.
3. On the Assay Management ribbon, click Distillations in the Plot
Gallery. The Distillations plot appears in the data browser.
4. Customize the Distillations plot using the options on the Format rib-
bon.

Generating a Cut Properties Plot


Before you start
Ensure the assays are characterized.

To generate a Cut Properties plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the desired assays. Press Ctrl or Shift on
the keyboard to multi-select assays.
Note: To generate a Cut Properties plot, at least two assays must be selected.
3. On the Assay Management ribbon, click Cut Properties in the Plot
Gallery. The Cut Properties plot appears in the data browser.
4. Customize the Cut Properties plot using the options on the Format rib-
bon.

Generating a Viscosities Plot

3 Working with the Petroleum Assays Form 15


Before you start
Ensure the assays are characterized.

To generate a Viscosities plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the desired assays. Press Ctrl or Shift on
the keyboard to multi-select assays.
3. On the Assay Management ribbon, click Viscosities in the Plot
Gallery. The Viscosities plot appears in the data browser.
4. Customize the Viscosities plot using the options on the Format ribbon.

Generating a Cut Yields Plot


Before you start
Ensure the assays are characterized.

To generate a Cut Yields plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the desired assays. Press Ctrl or Shift on
the keyboard to multi-select assays.
3. On the Assay Management ribbon, click Cut Yields in the Plot
Gallery. The Cut Yields plot appears in the data browser.
4. Customize the Cut Yields plot using the options on the Format ribbon.

Generating a PNA Plot


Before you start
Ensure the assays are characterized.

To generate a PNA plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the desired assays. Press Ctrl or Shift on
the keyboard to multi-select assays.
3. On the Assay Management ribbon, click PNA/MC PNA in the Plot
Gallery. The PNA plot appears in the data browser.
4. Customize the PNA plot using the options on the Format ribbon.

16 3 Working with the Petroleum Assays Form


Generating a Properties Plot
Before you start
Ensure the assays are characterized.

To generate a Properties plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the desired assays. Press Ctrl or Shift on
the keyboard to multi-select assays.
3. On the Assay Management ribbon, click Properties in the Plot
Gallery. The Properties plot appears in the data browser.
4. Customize the Properties plot using the options on the Format ribbon.

Generating a Cut Viscosities Plot


Before you start
Ensure the assays are characterized.

To generate a Cut Viscosities plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the desired assays. Press Ctrl or Shift on
the keyboard to multi-select assays.
3. On the Assay Management ribbon, click Cut Viscosities in the Plot
Gallery. The Cut Viscosities plot appears in the data browser.
4. Customize the Cut Viscosities plot using the options on the Format rib-
bon.

Generating an MC Property Profile Plot


Generate an MC Property Profile plot from the Assays Summary form.

Before you start


Ensure the assays are characterized. You must have performed molecular char-
acterization for at least one assay.

To generate an MC Property Profile plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

3 Working with the Petroleum Assays Form 17


2. Click to select the rows of the molecular characterized assays. Press
Ctrl or Shift on the keyboard to multi-select assays.
3. On the Assay Management ribbon, click MC Property in the Plot
Gallery. The MC Property Profile plot appears in the data browser.
4. Customize the MC Property Profile plot using the options on the
Format ribbon.

Generating a Residual Plot


Generate a Residual plot from the Assays Summary form.

Before you start


Ensure the assays are characterized. You must have performed molecular char-
acterization for at least one assay.

To generate a Residual plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the molecular characterized assays. Press


Ctrl or Shift on the keyboard to multi-select assays.
3. On the Assay Management ribbon, click Residual in the Plot
Gallery. The Residual plot appears in the data browser.
4. Customize the Residual plot using the options on the Format ribbon.

Generating a Molecule Distribution Plot


Generate a Molecule Distribution plot from the Assays Summary form.

Before you start


Ensure the assays are characterized. You must have performed molecular char-
acterization for at least one assay.

To generate a Molecule Distribution plot:

1. Click the Petroleum Assays node to open the Petroleum Assays


form.

2. Click to select the rows of the molecular characterized assays. Press


Ctrl or Shift on the keyboard to multi-select assays.
3. On the Assay Management ribbon, click Molecular in the Plot
Gallery. The Molecule Distribution plot appears in the data browser.
4. Customize the Molecule Distribution plot using the options on the
Format ribbon.

18 3 Working with the Petroleum Assays Form


Assay Plot Types
Assay Management provides various built-in plot types. These plots can be used
to visualize the quality of assay data, and to compare different assays and prop-
erties.

Note: Ensure the assays are characterized before generating plots.

The Plot Gallery of the Assay Management ribbon contains the following
plot types:

l Cut Properties plot


l Cut Viscosities plot
l Cut Yields plot
l Distillations plot
l MC Property Profile plot
l Molecule Distribution plot
l PNA/MC PNA plot
l Properties plot generated from forms Assays Summary, Input
Assay, Assay Properties Summary, or Conventional Res-
ults/Molecular Results
l Residual plot
l Segment Probability Distribution plot
l Viscosities plot

Distillations Plot
The Distillations plot is used to display the distillation curves of selected
assays. The distillation curves are shown as cumulative volume or weight per-
cent yield as a function of average boiling point. By default, the Distillations
plot shows the distillation curve of the whole crude.

Basically, the Distillations plot shows the characterization (calculation) res-


ults as a line and experimental (raw) data as symbols. To display the symbols
of experimental data, you must select the correct basis of yield (volume or
weight) for the experimental data in the Basis drop down list (located in the
Plot group of the Format ribbon). Experimental data is obtained from the
Input Assay form.

In the coordinate system, the X axis represents temperature, and the Y axis rep-
resents the cumulative yield percentage by default; however, the coordinates
can be flipped.

The Distillations plot can be generated from the Petroleum Assays, Assay
Properties Summary, Input Assay, orConventional Results/Molecular
Results forms.

3 Working with the Petroleum Assays Form 19


Cut Properties Plot
The Cut Properties plot is a scattered plot used to compare a property for dif-
ferent assays or specific cut of the assays. For example, you can use the cut
properties plot to show the bulk sulfur content of all the selected assays or the
sulfur content of the gas-oil cut of all the selected assays.

In the coordinate system, the X axis represents the selected assays, and the Y
axis represents the selected property.

The Cut Properties plot can be generated from the Petroleum Assays
form.

Viscosities Plot
The Viscosities plot is used to display dynamic or kinematic viscosity at a spe-
cified temperature as a function of average boiling points. The viscosity at
more than one temperature can be displayed at the same time, each shown as
a separate line.

In the coordinate system, the X axis represents the temperature from the initial
boiling point to the final boiling point of the selected assays or cuts within the
assays, and the Y axis represents the dynamic or kinematic viscosity on a log-
arithmic scale.

By default, the input viscosity data appears as symbols. In this way, you can
compare the experimental and characterized assay data directly. You can turn
off the show input data function if you do not want to see the input data in the
plot.

The Viscosities plot can be generated from the Petroleum Assays, Assay
Properties Summary, Input Assay or Conventional Results/Molecular
Results forms.

Cut Yields Plot


The Cut Yields plot is a bar chart used to display the product yields of any or
all assays in the case. Yields of any arbitrary cut of the assays can also be dis-
played. You can use the Cut Yields plot to compare the product yield of dif-
ferent assays. For example, you can compare the Light Naphtha yield of all the
assays in the case.

In the coordinate system, the X axis represents the selected assays or the arbit-
rary cut of the selected assays, and the Y axis represents the volume or weight
percent yield of different products such as Naphtha, Kerosene, Gas Oil, etc.

The Cut Yields plot can be generated from the Petroleum Assays, Assay
Properties Summary, Input Assay or Conventional Results/Molecular
Results forms.

20 3 Working with the Petroleum Assays Form


MC Property Profile Plot
The MC Property Profile plot is used to display the property values of the
experimental data and the evaluation or regression results at the same time.
By default, the MC Property Profile plot shows the property values of the
whole crude.

The MC Property Profile plot shows the evaluation or regression results as


horizontal bars for the cuts at the height of the property values. The length of
the horizontal bar is from the initial boiling point (IBP) to the final boiling point
(FBP) for the cuts. The experimental values display as markers.

In the coordinate system, the X axis represents temperature, and the Y axis rep-
resents the property values. The Yield is the default property selected on the Y
axis.

The MC Property Profile plot can be generated from the Molecular Meth-
ods form and is only available for assays with molecular profile evaluation or
regression results.

Molecule Distribution Plot


The Molecule Distribution plot is used to display the composition of the
molecules in a class or in the whole crude.

In the coordinate system, the Y axis represents one of the following elements:

l Differential or integral mole fractions


l Differential or integral mass fractions
l Differential or integral volume fractions
The X axis represents one of the following elements of the molecule:

l Carbon number
l Normal boiling point
l Standard liquid density
By default, the Y axis represents the differential mole fraction and the X axis
represents the carbon number of the molecule.

If all the segment distribution parameters for a class are complete, you can gen-
erate the Molecule Distribution plot for this class. Multiple classes can be dis-
played on one plot.

The Molecule Distribution plot can be generated from the Molecular Meth-
ods or Molecular Results forms. The plot generated from the Molecular
Methods form shows the composition directly using the profile parameters.
The plot generated from the Molecular Results form shows the composition
after fine tuning.

PNA/MC PNA Plot

3 Working with the Petroleum Assays Form 21


PNA represents Paraffin, Naphthene and Aromatic contents of the crude,
respectively. The PNA or MC PNA (for molecular characterization) plot is used
to display the paraffin, naphthene and aromatic contents of the selected assays
or cuts as a function of average boiling points. For each assay, the contents of
paraffin, naphthene and aromatic are shown as three separate lines. The sum
of Paraffin, Naphthene and Aromatic contents equals 100.

For molecular characterization, the MC PNA plot can be displayed as a line plot
or an area plot, including the differential mole, mass or volume fraction of P, N
and A on the Y axis. The experimental data points appear automatically in the
MC PNA plot when they are available.

For molecular characterization:

l P is the class summary fractions of Paraffins (P), Sulfides (S), Mer-


captans (M) and Paraffinic Acid (PA).
l N is the class summary fractions of Naphthenes (N), Naphthenic Sulfides
(NS) and Naphthenic Acid (NA).
l A is the class summary fractions of Aromatics (A), Thiophenes (T), Car-
bazoles, Quinolines, Phenols and Aromatic Acid (AA).
In addition to the curves for total P, N and A, the MCPNA plot can also display
the curves for sub-class. The sub-classes of P, N and A are as follows:

l For P, the sub-class curves include the curves for normal paraffin and
iso-paraffins.
o The normal paraffin includes the normal paraffinic hydrocarbons,
sulfides, mercaptans and paraffinic acids.
o The iso-paraffins include all of the iso-paraffinic hydrocarbon
molecules.
l For N, the sub-class curves include the curves for mono-ring naphthenes
and poly-ring naphthenes.
o The mono-ring naphthenes include the mono-ring naphthenic
hydrocarbons, mono-ring naphthenic sulfides and mono-ring
naphthenic acids.
o The poly-ring naphthenes include the poly-ring naphthenic hydro-
carbons, naphthenic sulfides and naphthenic acids.
l For A, the sub-class curves include the curves for mono-ring aromatics,
binuclear aromatics, trinuclear aromatics and other polynuclear aro-
matics.
o The mono-ring aromatics include the aromatic hydrocarbons,
thiophenes, carbozoles, quinolines, phenols and aromatic acids
which contain one aromatic ring and zero/non-zero other rings
such as the naphthenic ring, thiophene ring, carbonzole ring or
quinoline ring.
o The binuclear aromatics include the aromatic hydrocarbons,
thiophenes, carbozoles, quinolines, phenols and aromatic acids
which contain two aromatic rings and zero/non-zero other rings.

22 3 Working with the Petroleum Assays Form


o The trinuclear aromatics include the aromatic hydrocarbons,
thiophenes, carbozoles, quinolines, phenols and aromatic acids
which contain three aromatic rings and zero/non-zero other
rings.
o The other polynuclear aromatics include the aromatic hydro-
carbons, thiophenes, carbozoles, quinolines, phenols and aro-
matic acids which contain four or more than four aromatic rings
and zero/non-zero other rings.
In the coordinate system, the X axis represents temperature from the initial
boiling point to the final boiling point of the selected assays or cuts within the
assays, and the Y axis represents the weight or volume percent yield of par-
affin, naphthene and aromatic contents.

By default, the input data displays as symbols. In this way, you can compare
the experimental and characterized paraffin, naphthene and aromatic contents
data directly. You can turn off the show input data function if you do not want to
see the input data in the plot.

The PNA/MC PNA plot can be generated from the forms Petroleum Assays,
Assay Properties Summary, Input Assay or Conventional Res-
ults/Molecular Results.

Properties Plot
The Properties plot is used to display a property as a function of average boil-
ing points or cut temperatures.

The Properties plot is applicable to all the properties except dynamic or kin-
ematic viscosity and PNA. Assay Management has specific plots for viscosity
and PNA.

The Properties plot is one of the most useful plots available. Multiple prop-
erties can be plotted together in one plot if they have the same units. This
enables you to easily compare them or to check for consistency. For example,
freeze point, cloud point, and pour point can be plotted together to check
whether or not they follow the rule-of-thumb, which states that: Freeze point >
Cloud point > Pour point.

In the coordinate system, the X axis represents temperature from the initial
boiling point to the final boiling point of the selected assays or cuts within the
assays, and the Y axis represents the selected property. Two Y axes can be spe-
cified in a Properties plot.

Note: You cannot add a guide point or view the guide point table if there are two or more
properties on the plot.
Note: If you specified Y-axis properties from the Select Property dialog box, multiple
properties can be selected for both Y-1 and Y-2. If you specified Y-axis properties from the
Input Assay/Conventional Results form, you can select multiple properties, but only
two Y-axis properties can be displayed. A dialog box appears, informing you that some of
the properties are not displayed.

3 Working with the Petroleum Assays Form 23


The Properties plot can be generated from the forms Petroleum Assays,
Assay Properties Summary, Input Assay or Conventional Res-
ults/Molecular Results.

Residual Plot
The Residual plot is used to display the residual of a property for each cut. By
default, the Residual plot shows the residual values of the whole crude.

The Residual plot shows the residual values of each cut as horizontal bars at
the height of the residual values. The length of the horizontal bar is from the ini-
tial boiling point (IBP) to the final boiling point (FBP) for the cuts.

In the coordinate system, the X axis represents temperature, and the Y axis rep-
resents the residual values of a property. By default, the Y axis represents the
residual values of the Yield.

The Residual plot can be generated from the Molecular Methods form and is
only available for the assay with molecular profile evaluation or regression res-
ults.

Segment Probability Distribution Plot


The segment numbers for a compound class fall within a range. For example,
the number of methylene (-CH2-) ranges from 0 to 60 for paraffin. The same
building segment will have different ranges depending on the compound class.
The Segment Probability Distribution plot is used to show the probability of
the occurrence of a specific value within a building segment range. All values
within the range and their associated probability of occurrence appear.

One Segment Probability Distribution plot is for one segment type. The
preferable behavior is that the probabilities will decrease with the number with
or without a peak in the middle.

In the coordinate system, the X axis represents segment number, and the Y
axis represents the probability. The segment number must be an integer.

The Segment Probability Distribution plot can be generated from the


Molecular Methods form. The Segment option is available in the Plot
Gallery when at least one segment has complete distribution parameters on
the Parameters tab.

Cut Viscosities Plot


The Cut Viscosities plot is used to display dynamic or kinematic viscosity of
various product cuts of an assay as a function of temperature. Viscosity of each
product, such as Naphtha, Distillate, Gas-Oil and Residue, is shown as a sep-
arate line.

24 3 Working with the Petroleum Assays Form


In the coordinate system, the X axis represents temperature at which the vis-
cosity is calculated, and the Y axis represents dynamic or kinematic viscosity
on a logarithmic scale.

By default, the input viscosity data of each product appears as symbols. In this
way, you can compare the experimental and characterized assay data directly.
You can turn off the show input data function if you do not want to see the input
data in the plot.

The Cut Viscosities plot can be generated from the forms Petroleum
Assays, Assay Properties Summary, Input Assay or Conventional Res-
ults/Molecular Results.

Editing Guide Points


Guide points are used to help guide the correlation such that the predicted prop-
erty over the whole assay or a specific product cut behaves as expected.
Although this feature is empirical in nature, it is a very useful tool to help over-
come the lack of experimental data or deficiency of the currently available cor-
relations.

The guide point function is only available for the Properties plot.

In addition, guide points are not available for all of the properties, such as
StdLiquidDensity. The Guide Point group on the Format ribbon is disabled
when guide points are not available to the property displayed on the Y axis.

Working with guide points includes the following:

l Showing guide points


l Adding guide points
l Checking guide points
l Relocating guide points
l Removing guide points

Showing Plot Guide Points


By default, the guide points are not shown in the plot. You must specify whether
or not to show them.

To show guide points:

1. On the Assay Management ribbon, click Properties in the Plot


Gallery to generate a Properties plot in the data browser.
2. On the Format ribbon, select the Show Guide Points check box. The
guide points, if any, will appear in the plot.

Adding Plot Guide Points


To add guide points:

3 Working with the Petroleum Assays Form 25


1. On the Assay Management ribbon, click Property from the Plot
Gallery to generate a plot in the data browser.
2. On the Format ribbon, click Add Guide Point.
3. Put the cursor (shows as a “+”) to the point on the plot where you want
to add a guide point and click once. A guide point will be added and
shown in the plot.
You can see the coordinates of each point while moving the cursor in the
plot.
You must save the case to save the guide points you have added. After you
save the case, the guide points will appear when you re-generate the Prop-
erties plot for the same property and assay.

Checking Guide Points


Provide a summary view of all the guide points in the plot and the specific
coordinate values of each guide point.

To check guide points information:

1. On the Format ribbon, click Guide Property Table. The Guide Point
Table dialog box appears, showing the Guide Point Table form.
2. All the guide points in the Properties plot are listed in the Guide Point
Table form in separate rows. In addition, all input data from the Pet-
roleum Assays form also appears.
The Temperature represents the X coordinate value of the guide point, while
the Property Value represents the Y coordinate value. You can modify the
coordinate values of the guide points in the Guide Point Table form.

Relocating Guide Points


Change the position of the guide points. You can change the position of a guide
point by:

l Dragging the guide point in the plot to the desired location


l Changing the coordinates of the guide point in the Guide Point Table

Before you start


Ensure you select the Show Guide Points check box on the Format ribbon.

To relocate a guide point by dragging:

1. In the Properties plot with guide points, put the cursor on the guide
point you want to move. The cursor changes from a + to a hand .
2. Press the mouse to drag the guide point to the point where you want to
relocate it and release the mouse.

26 3 Working with the Petroleum Assays Form


You can see the coordinates of each point while moving the cursor in the
plot.
To relocate a guide point by changing the coordinates:

1. On the Format ribbon, click Guide Point Table.


The Guide Point Table dialog box appears, opening the Guide Point
Table form.
2. In the Guide Point Table form, go to the row of the desired guide point
and enter new values in the cells Temperature and Property Value.
3. Press Enter. The guide point moves to the point specified in the Guide
Point Table form.

Removing Guide Points


Removing guide points from the Properties plot.

To remove guide points:

1. In the Properties plot with guide points, put the cursor on the guide
point you want to remove. The cursor changes from a + to a hand .
2. Right-click the guide point and select Delete Guide Point from the con-
text menu. The guide point will be removed from the plot.

Plot Layout Arrangement


The Format ribbon and context menu in a plot provide various options for you
to re-organize the layout of the plot.

l Format ribbon
The Format ribbon is a context ribbon. When a plot is generated, the
Format ribbon appears on the ribbon bar.
Not all the options on the Format ribbon are available for each plot
type. When a plot is generated, only the accessible options appear on the
Format ribbon.
l Context menu
Right-click anywhere in the coordinate to access the context menu.
You can perform the following to customize the layout of a plot:

l Select assays displayed in a plot


l Select property displayed on the axis
l Modify temperatures
l Specify the scale of axes
l Specify the display of grid lines
l Specify the display of charts
l Flip coordinates

3 Working with the Petroleum Assays Form 27


l Edit legends
l Specify the labels displayed in the plot
l Add additional text information
l Define the cut displayed in the plot
l Define several cuts to display in the plot
l Specify the distillation type
l Specify the yield value basis
l Specify the unit of yield value percent
l Display the input and calculated bulk property of the wide cuts
l Display the volume percentage on the X axis for the Properties plot
l Show input data, data match and the curve in the plot
l Edit guide points
l Copy a plot
l Print a plot
l Set the zoom scale of a plot
l Select the compound class for the Segment Probability Distribution
plot
l Select the segment for the Segment Probability Distribution plot
l Select the classes displayed in the Molecule Distribution plot.
l Define data source for the Molecule Distribution plot.

Selecting Assays to Plot


You can add one or more assays to a single plot.

Note: For MC PNA plots, you can only select one assay for the plot when the Plot Type is
selected as Area in the Data Source group.

To select assays:

1. On the Home ribbon, click the desired plot type in the Plot Gallery to
generate a plot in the data browser.
2. On the Format ribbon, click Select Assays.
3. In the Select Assay dialog box, select the Include check box for the
desired assays.
4. Click OK. The selected assays are displayed in the plot.
For the MC Property Profile plot and Residual plot, select the assay from
the Assay drop-down list in the Assay and Property group of the Format
ribbon.

Selecting the Y-Axis Property

28 3 Working with the Petroleum Assays Form


Purpose
Select the property displayed on the Y axis. When a plot type is selected, Assay
Management determines which property to display on the Y axis depending on
the mouse focus. A blank plot is generated if the system cannot determine
which property to display.

To select the property:

1. On the Assay Management ribbon, click the desired plot type in the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon:
o Select the desired Property and Unit in the Property group.
Or
o Click Select Property to select the property in the Select Prop-
erty dialog box.
Note: The Select Property button and the Property group do not
appear simultaneously. Which option appears on the Format ribbon
depends on the selected plot type.

For the MC Property Profile plot and Residual plot, select the property from
the Property drop-down list in the Assay and Property group of the
Format ribbon.

Modifying Plot Viscosity Temperatures


You can edit the temperature for plot viscosity calculations as a range or a
series of temperature values.

For the Viscosities plot, the Modify Temperature dialog box allows you to
specify one or more temperature values at which viscosity will be calculated for
the selected assays or cuts. Each temperature is shown as a separate line on
the plot.

For the Cut Viscosities plot, the Modify Temperature dialog box allows you
to specify the temperature range over which viscosity will be calculated for the
various product cuts of the selected assays.

To set a specific temperature for a viscosity plot:

1. On the Assay Management ribbon, click Viscosities in the Plot


Gallery to generate a Viscosities plot in the data browser.
2. On the Format tab, click Modify Temperature.
3. Add new temperatures or modify the existing temperatures in the
Modify Temperature dialog box.
4. Click OK.
o If you specify new temperatures, separate lines are generated
for each new temperature in the plot.
o If you modify the existing temperatures, the curves and legends
in the plot are updated accordingly.

3 Working with the Petroleum Assays Form 29


To specify the temperature range appears on the X axis:

1. On the Assay Management ribbon, click Cut Viscosities from the


Plot Gallery to generate a Cut Viscosities plot in the data browser.
2. On the Format ribbon, click Modify Temperatures.
3. Modify the minimum and maximum temperature in the Temperature
Range dialog box.
4. Click OK. The new temperature scale displays on the X axis.

Specifying the Plot X-Y Value Ranges


To specify the plot X-Y value ranges:

1. On the Assay Management ribbon, click the desired plot type in the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, enter the minimum and maximum values dis-
played on the X and Y axis in the Axis group.
The value range displayed on the X and Y axis will change accordingly in the
plot.

Note: Changing the minimum or maximum value in the Axis group does not affect the
actual calculation results (data) available for plotting. If data is not available within the
range specified, no lines will be drawn in that range.

Specifying the Display of Plot Grid Lines


Define the style of the grid lines used in the plot.

To specify the display of plot grid lines:

1. On the Assay Management ribbon, click the desired plot type in the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, select Mesh, Vertical, Horizontal or No grid
from the Type drop-down list.
The type of the grid lines in the plot will change based on your selection.

Specifying Lines or Markers in Charts


You can specify the way in which a chart is displayed in the plot; as lines only,
markers only or with both lines and markers.

To specify the display of charts:

1. On the Assay Management ribbon, click the desired plot type in the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, select Line&Markers, Lines Only or Markers
Only from the Display drop-down list.
The display of the chart in the plot will change based on your selection.

30 3 Working with the Petroleum Assays Form


Flipping Plot Coordinates
Note: The Flip Coordinates check box is only available to the Distillations plot.

To flip coordinates:

1. On the Assay Management ribbon, click the desired plot type from the
Plot Gallery to generated a plot in the data browser.
The Format ribbon appears.
2. On the Format ribbon, select the Flip Coordinates check box in the
Grid group.
The X and Y axes in the plot will exchange.

Editing Plot Legends


To edit the legends:

1. On the Assay Management ribbon, click the desired plot type from the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, click Edit Legend. The Edit Legend dialog box
appears.
3. Enter the necessary information in the Edit Legend dialog box.
4. Click OK. The new legend will display in the plot.

Selecting Plot Labels


You can show or hide labels for the Title, Legend, or X or Y axes in the plot.

To select labels:

1. On the Assay Management ribbon, click the desired plot type in the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, click Display and select the labels to display in
the sub-menu.
The selected items appear in the plot.

Adding Text to Plots


To add text:

1. On the Assay Management ribbon, click the desired plot type from the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, click Add Text. The Annotation Editor dialog
box appears.
3. Enter the text in the Annotation Editor dialog box.
4. Change the font if necessary.
5. Click OK. The texts appear in the plot.

3 Working with the Petroleum Assays Form 31


You can relocate the texts by dragging them.

Defining the Plot Cut Values


You can define values for or change the name and temperature range of a cut
for a selected assay. You can display properties of a product cut or the whole
crude. By default, the cut spans the entire assay. The temperature displayed on
the X axis ranges from the initial boiling point to the final boiling point of the cut
you define.

To define the cut:

1. On the Assay Management ribbon, click the desired plot type from the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, click Define Cut. The Define Cut dialog box
appears.
3. Enter the necessary information in the Define Cut dialog box.
Note: You can define only one cut in the Define Cut dialog box.
4. Click OK. The temperature range of the cut will display on the X axis in
the plot.
You can use the Default button to revert your settings in the Define Cut dialog
box to the default cut, which is the entire assay.

Adding Plot Cuts


You can specify one or more cuts of a selected assay to display in a plot. Off
Gases, Light Naphtha, Heavy Naphtha, Light Distillate, Heavy Distil-
late, Gas Oil and Residue are the default cuts in the Add Cuts dialog box.

Off gases, light naphtha, heavy naphtha, light distillate, heavy distillate, gas
oil, and residue are the default cuts.

Note: The Add Cut option is only available for the Cut Yields and Cut Viscosities plots.

To add cuts:

1. On the Assay Management ribbon, click the desired plot type from
the Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, click Add Cuts.
3. Modify the existing cut information or enter new cut information in the
empty row at the bottom of the Add Cuts dialog box.
4. Click OK. The specified cuts of all the selected assays will display in the
plot as separate lines.
You can use the Default button to revert your settings in the Add Cuts dialog
box to the default cuts.

Specifying the Plot Distillation Type

32 3 Working with the Petroleum Assays Form


You can select the type of distillation curve to display on the Distillations plot.
The available distillation types are TBP, D86 and D2887.

To specify distillation data:

1. On the Assay Management ribbon, click Distillations in the Plot


Gallery to generate a Distillations plot in the data browser.
2. On the Format ribbon, select TBP, D86 or D2287 from the Type drop-
down list.

Selecting the Basis of the Yield Value


You can select the basis on which the yield value of each property is calculated.

Note: The Basis drop-down list is only available to the Distillations and PNA plot.

To select the basis of the yield percent:

1. On the Assay Management ribbon, click the desired plot type in the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, select Volume or Weight from the Basis drop-
down list.

Showing Input Data

Purpose
Display the input assay data as symbols in the plots Distillations,
Viscosities, Cut Viscosities and PNA. By default, input assay data is not dis-
played in the plots.

The Show input data option is only available to the Distillations, Vis-
cosities, Cut Viscosities and PNA plots.

To show input data:

l On the Assay Management ribbon, click Distillations, Viscosities,


Cut Viscosities or PNA in the Plot Gallery to generate a plot in the
data browser.
The Format ribbon appears. The Show input data is selected by
default:
o For an assay from the system library, the Show input data
option cannot be deselected. But the input data does not actually
appear on the plot, although Show input data is selected.
o For an assay from other sources, such as internet, Excel, etc.,
the Show input data option can be deselected. When this option
is selected, input data appears in the plot as symbols. And the
legends of the symbols also appear.

3 Working with the Petroleum Assays Form 33


Showing Curve
Note: The Show Curve check box is only available to the plots Distillations, Prop-
erties, PNA, Viscosities and Cut Viscosities.

To show the curve:

1. On the Assay Management ribbon, click the desired plot type in the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, select the Show Curve check box. The curve
displays on the plot.

Copying a Plot

Purpose
Copy a plot and edit the plot in other tools such as Microsoft Office Excel, Paint,
etc.

To copy a plot:

1. In the plot, right-click anywhere and select Copy Plot from the context
menu.
2. Open another edit tool, and paste the plot.
Note: The plot is copied as a picture. The underlying data, such as temperature
and property values, is not copied.

Printing a Plot
To print a plot:

1. In the plot, right-click anywhere and select Print Plot from the context
menu. The Print dialog box appears.
2. Select the printer and click Print to print the plot.

Zooming a Plot

Purpose
Change the size of a plot.

To zoom a plot:

l Use the zoom controls in the status bar at the bottom of the window to
quickly adjust the size of the plot.
Alternatively, on the View ribbon, use the options in the Zoom group.
The Reset Zoom option in the context menu changes the plot size back to
100%.

34 3 Working with the Petroleum Assays Form


Selecting a Compound Class

Purpose
Select the compound class for which the Segment Probability Distribution
plot is generated.

To select a compound class from the Format ribbon:

1. On the Assay Management ribbon, click Segment in the Plot Gallery


to generate a Segment Probability Distribution plot in the data
browser.
The Format ribbon appears.
2. On the Format ribbon, select the desired compound class from the
Class drop-down lit in the Segment group.
Alternatively, you can select the desired compound class from the Molecular
Distribution table on the Parameters tab of the Molecular Methods form
before generating the Segment Probability Distribution plot. The selected
compound class automatically displays as the legend.

Selecting a Segment

Purpose
Select a building segment for the Segment Probability Distribution plot. The seg-
ment number of the selected segment appears on the X axis.

To select a segment from the Format ribbon:

1. On the Assay Management ribbon, click Segment in the Plot Gallery


to generate a Segment Probability Distribution plot in the data
browser.
The Format ribbon appears.
2. On the Format ribbon, select the desired segment from the Segment
drop-down list in the Segment group.
The options in the Segment drop-down list vary depending on the selec-
ted compound class.
Alternatively, you can select the desired segment from the Molecular Dis-
tribution table on the Parameters tab of the Molecular Methods form
before generating the Segment Probability Distribution plot. The segment
number of the selected segment will automatically appear on the X axis.

Selecting Classes

3 Working with the Petroleum Assays Form 35


Purpose
Generate the Molecule Distribution plot for one or more classes to view the
molecule distribution.

Before you start


Ensure all the segment distribution parameters for this class are complete.

To select the classes:

1. On the Assay Management ribbon, click Molecule in the Plot Gallery


to generate a Molecule Distribution plot in the data browser.
The Format ribbon appears.
2. On the Format ribbon, click Select Class, the Select Class dialog box
appears.
3. Select the check box before the desired class and click OK. The selected
class will display in the plot.

Defining Data Sources

Purpose
Specify the plot type and the information displayed on the X and Y axis in the
Molecule Distribution plot and MC PNA plot.

To define the data source:

1. On the Assay Management ribbon, generate a Molecule Distribution


plot or MC PNA plot.
The Format ribbon appears.
2. On the Format ribbon, specify the fields in the Data Source group to
define the display for the plots.

36 3 Working with the Petroleum Assays Form


4 Working with Individual
Assays

An individual assay is displayed as a node of the Petroleum Assays node.


Click an assay node to view or edit an assay.

Enter data in the following forms to complete the assay:

l Assay Properties Summary form - used to enter primary assay


information and view bulk property values for an assay.
l Input Assay form - used to enter experimental assay data.
l BackBlending form - used to define feed streams by blending their
associated products.
l Conventional Results/Molecular Results form - used to display the
characterized assay results.
From any one of the above forms, you can generate plots for an assay once it is
characterized.

Working with the Assay Prop-


erties Summary Form
You can use the Assay Properties Summary form to:

l Edit the basic information of an assay


l Specify a summary form of assay properties
You can select to display the same property multiple times in different
units. You can also select the same index property multiple times, each
with different calculation methods.

Completing the Description Tab

4 Working with Individual Assays 37


For a manually created new assay, you must enter the information on the
Description tab. For an imported assay, some fields on the Description tab
may already be populated.

To Edit the Description tab:

1. Click the desired assay name. The Assay Properties Summary form
of the desired assay opens in the data browser.
2. In the Assay Properties Summary form, click the Description tab.
3. Enter the required information on the Description tab.

Completing the Details Tab


Completing the Details tab in the Assay Properties Summary form
includes:

l Adding properties
l Modifying properties
l Removing properties
l Displaying the same index property multiple times with different cal-
culation methods
l Displaying the same property multiple times in different units

Adding Properties
To add a property to the Assay Details tab:

1. Click the desired assay.


2. In the Assay Properties Summary form, click the Details tab.
3. Double click the empty cell in the Property column. The Property pop-
up window opens.
4. Enter the required information in the Property pop-up window.
5. Click to verify the selection. The property appears in the Assay Prop-
erties Summary form.
Click to launch the online help topic for the selected property.
Assay Management calculates the Bulk Value for the specified properties and
displays the results in the Bulk Value column. Assay Management also dis-
plays the number of data points available for the properties in the Input Assay
form in the Number of Points column.

Modifying Properties
To modify a property on the Details tab:

1. Click the desired assay. The Assay Properties Summary form of the
desired assay opens in the data browser.
2. In the Assay Properties Summary form, click the Details tab.

38 4 Working with Individual Assays


3. Double-click the property you want to modify in the Property column.
The Property pop-up window appears.
4. Modify the Group and Property.
5. Click to accept the changes. The new property will display in the
Assay Properties Summary form.
Click will launch the online help topic for the selected property.
Note: Properties presented on the Input Summary tab of the Input Assay
form cannot be modified.

Assay Management will calculate the Bulk Value for the specified properties,
and display the results in the Bulk Value column. Assay Management will also
display the number of data points available for the properties in the Input
Assay form in the Number of Points column.

Removing Properties
To remove properties on the Details tab:

1. Click the desired assay node.


2. In the Assay Properties Summary form, click the Details tab.
3. Right-click the property you want to remove in the Property column,
and select Remove Property from the context menu. The property will
not be removed from the Assay Properties Summary form.
Note: You cannot undo the removal.

Displaying the Same Index Property Multiple


Times with Different Calculation Methods
You can select different methods for the same index property and display the
results at the same time on the form. You can select multiple calculation meth-
ods for the same index property only on the Assay Properties Summary and
Conventional Results/Molecular Results forms .

To select different calculation methods for the same index property:

1. Click the desired assay node to display the Assay Properties Sum-
mary or Conventional Results/Molecular Methods form in the data
browser.
2. On the open form:
o Click the Details tab on the Assay Properties Summary form.
o Click the Result Summary tab on the Conventional Res-
ults/Molecular Results form.
3. Double-click the first grid in an empty row. The Property pop-up win-
dow appears.
4. Select Index from the Group drop-down list. The Method drop-down
list appears.
Note: This function is only valid for the index properties.

4 Working with Individual Assays 39


5. Select the desired Property and Method and click to accept your
selection.
6. Repeat steps 3 to 5 and select the same property but a different method
in the Property pop-up window.
The values of the same index property calculated using different methods
appear on the form.

Displaying the Same Property Multiple Times in Dif-


ferent Units

Purpose
You can select different units for the same property and display the results at
the same time on the form. You can select different units for the same property
only on the Assay Properties Summary and Conventional Res-
ults/Molecular Results forms.

To select different units for the same property:

1. Click the desired assay node to display the Assay Properties Sum-
mary or Conventional Results/Molecular Results form in the data
browser.
2. On the open form:
o Click the Details tab on the Assay Properties Summary form.
o Click the Result Summary tab on the Conventional Res-
ults/Molecular Results form.
3. Double-click the first grid in an empty row. The Property pop-up win-
dow appears.
4. Select the desired Group and Property. When a unit is required for the
property, an additional drop-down list appears next to the Property
drop-down list.
5. Select the desired unit and click to accept your selection.
6. Repeat steps 3 to 5 and select the same property but different units in
the Property pop-up window.
The values of the same property using different units appear on the form.

Working with the Input Assay


Form
The Input Assay form is used to enter and edit the experimental assay data of
a crude assay. After creating a new assay in the current case, you have to enter
the assay data on the Input Assay form.

40 4 Working with Individual Assays


For a manually created new assay, the assay data must be entered manually.
For an imported assay, the assay data saved in the assay file will be populated
on the Input Assay form.

Assay data on the Input Assay form can be edited at any time. Data changes
on the Input Assay form after characterization, such as adding, removing or
modifying cut and/or property data, appear automatically on the Conventional
Results or Molecular Results form when the assay is re-characterized. In
addition, any new cuts or properties that have been added or modified on the
Conventional Results or Molecular Results are retained.

Note: To remove a cut or property from the Conventional Results/Molecular Results


form when the assay is re-characterized, you must remove the cut or property from both
the Input Assay form and the Conventional Results/Molecular Results form and
then redo the characterization.

The Input Assay form consists of three tabs:

l Input Summary tab


l Pure Component tab
l Distillation Data tab

Completing the Input Summary Tab


The Input Summary tab displays an Input Summary form. The Input Sum-
mary form is used to define the property data for the whole crude and product
cuts.

Perform the following steps to complete the information on the Input Sum-
mary form:

1. Define assay cuts


2. Define assay properties
3. Enter assay data

Defining Assay Cuts


To complete an Input Summary form, you must define the product cuts as
obtained in the laboratory measurements, as well as the whole crude, if avail-
able. Assay cuts procedures include the following:

l Creating assay cuts


l Modifying assay cuts
l Removing assay cuts

Creating Assay Cuts


To create an assay cut on the Assay Input Summary form:

4 Working with Individual Assays 41


1. Click the Input Assay node. The Input Assay form of the desired
assay opens in the data browser.
2. On the Input Assay form, click the Input Summary tab.
3. Click the column with guide text Click to Add Cut. The Set New Cut
dialog box appears.
4. Enter the following information:
o Cut name
o Initial temperature and its unit
o Final temperature and its unit
Note: Initial temperature and final temperature values entered appear in
the global temperature units used in the case. For example, if the global
unit set is English, the initial temperature and final temperature will
appear in Fahrenheit (F).
5. Click OK. A new assay cut is added on the Input Summary form.
Repeat the procedure until you create all the needed assay cuts.

Modifying Assay Cuts


To modify an assay cut on the Input Summary form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Input Summary tab.
3. On the column header of the cut you want to modify, update the fol-
lowing information to complete modifying an assay cut:
o Cut name
o Initial temperature and its unit
o Final temperature and its unit
Repeat the procedure until you modify all the assay cuts you want to change.

Removing Assay Cuts


To remove an assay cut from the Input Summary form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Input Summary tab.
3. Right-click a cell (column header included) under the cut column you
want to remove, and select Remove Cut from the context menu.
The cut will be removed from the Input Summary form.
Note: You cannot undo the removal.

Repeat the procedure until you remove all the unnecessary assay cuts.

Defining Assay Properties

42 4 Working with Individual Assays


To complete an Input Summary form, you need to define the assay property
to be displayed on the Input Summary form. Procedures include the fol-
lowing:

l Selecting assay properties


l Modifying assay properties
l Removing assay properties

Selecting Assay Properties


To select a property on the Input Summary form:

1. Click the Input Assay node. The Input Assay form of the desired
assay opens in the data browser.
2. On the Input Assay form, click the Input Summary tab.
3. Double-click the first empty cell in the first empty row. The Property
pop-up window appears.
4. Enter the required information in the Property pop-up window.
Note: For the Index group, Refractive Index (RefractIdx) and Cetane Index
(CetaneIndex) are the only options for the Property drop-down list. Other index
properties are not meaningful experimental input data for an assay and are there-
fore excluded.
5. Click to verify the selection. The property appears on the Input Sum-
mary form.
Click to launch the online help topic for the selected property.

Modifying Assay Properties


To modify an assay property on the Input Summary form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Input Summary tab.
3. Double-click the row header of the property you want to modify. The
Property pop-up window appears.
4. Modify the Group and Property.
Note: For the Index group, Refractive Index (RefractIdx) and Cetane Index
(CetaneIndex) are the only options for the Property drop-down list. Other index
properties are not meaningful experimental input data for an assay and are there-
fore excluded.
5. Click to accept the changes. The new property will appears on the
Input Summary form.
Click to launch the online help topic for the selected property.

Removing Assay Properties

4 Working with Individual Assays 43


To remove an assay property from the Input Summary form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Input Summary tab.
3. Right-click a cell (row header included) in the property row you want to
remove, and select Remove Property from the context menu.
The property will be removed from the Input Summary form.
Note: You cannot undo the removal.

Entering Assay Data


To enter assay data on the Input Summary form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Input Summary tab.
3. Double-click each cell corresponding to the cut and property for which
you have data, and enter the property value.
For some properties, you must select a unit for the property value. If the
unit is not the same as the unit you specify in the property header, Assay
Management will convert the input value to the unit specified in the prop-
erty header.
By double-clicking a grid, you can modify the assay data on the Input Sum-
mary form at any time.

Completing the Pure Com-


ponent Tab
The Pure Component tab displays a Pure Component form. The Pure Com-
ponent form is used to define the pure components that exist in the crude
assay.

The Basis (%) is a default element in the Pure Component form that cannot
be modified or removed. The Basis (%) has two options:

l By mass - The ratio calculation is based on mass quantity.


l By volume - The ratio calculation is based on volume quantity.
Perform the following steps to complete the information on the Pure Com-
ponent form:

1. Define assay cuts


2. Define pure components
3. Enter assay data

44 4 Working with Individual Assays


For pure components, you can also specify advanced settings. Click the
Advanced Settings button on the Pure Component tab to open the dialog
box. Maximum BP and standard deviation can be changed from the default val-
ues to influence the distribution. Increasing the standard deviation will spread
out the component more.

The data entered on this tab includes yields and lab used to enter the pure com-
ponents composition data obtained from light-end or GC analysis of the whole
crude or Naphtha cuts. Cuts defined on this tab must have corresponding cuts
on the Input Summary tab, since yield data from the Input Summary tab is
required in the analysis of GC data.

GC data for components heavier than i-Pentane can span multiple Naphtha cuts.
We recommend that you enter lighter components (C1-iC5) for the whole crude
or for a light-end cut that spans IBP to 36 °C. The corresponding light-end cut
must be defined on the Input Summary tab with appropriate cut yield. For
light-end or Naphtha cut, the GC composition data is relative to the cut itself,
which means the composition is based on the 100% basis.

Pure components data provided will be used during characterization and will be
matched as closely as possible. For components that span multiple cuts, their
compositions will be distributed subject to material balance constraint for each
cut and for the whole crude.

If pure components data is not available, Assay Management can predict its
compositions and distribution in the Naphtha range using a correlation and heur-
istics that depend on the cut PNA content, TBP curve, and distribution para-
meters. You can change the distribution parameters to improve the component
distribution using the Edit Property Distribution Parameters dialog box.

Defining Assay Cuts


To complete the Pure Component form, you must define the product cuts as
obtained in the laboratory measurements as well as the whole crude, if avail-
able. Assay cuts procedures include the following:

l Creating assay cuts


l Modifying assay cuts
l Removing assay cuts

Creating Assay Cuts


To create an assay cut on the Pure Component form:

1. Click the Input Assay node. The Input Assay form of the desired
assay opens in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. Click the column with guide text Click to Add Cut. The Set New Cut
dialog box appears.

4 Working with Individual Assays 45


4. Enter the following information:
o Cut name
o Initial temperature and its unit
o Final temperature and its unit
Note: Initial temperature and final temperature values entered appear in
the global temperature units used in the case. For example, if the global
unit set is English, initial temperature and final temperature will appear in
Fahrenheit (F).
5. Click OK. A new assay cut is added on the Pure Component form.
Repeat the procedure until you create all the needed assay cuts.

Modifying Assay Cuts


To modify an assay cut on the Pure Component form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. On the column header of the cut you want to modify, update the fol-
lowing information to complete modifying an assay cut:
o Cut name;
o Initial temperature and its unit
o Final temperature and its unit
o Basis (%)
Repeat the procedure until you modify all the assay cuts you want to change.

Removing Assay Cuts


To remove an assay cut from the Pure Component form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. Right-click a cell (column header included) under the cut column you
want to remove, and select Remove Cut from the context menu.
The cut will be removed from the Pure Component form.
Note: you cannot undo the removal.

Repeat the procedure until you remove all the unnecessary assay cuts.

Defining Pure Components


To complete a Pure Component form, you must define the pure components
contained in the crude assay on the Pure Component form. Procedures
include the following:

46 4 Working with Individual Assays


l Selecting pure components
l Modifying pure components
l Removing pure components

Selecting Pure Components


To select a property on the Pure Component form:

1. Click the Input Assay node. The Input Assay form of the desired
assay opens in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. Double-click the first empty cell in the first empty row. The Component
pop-up window appears.
4. Enter the required information in the Component pop-up window.
5. Click to verify your selection. The pure component appears on the
Pure Component form.

Modifying Pure Components


To modify a pure component on the Pure Component form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. Double-click the row header of the pure component you want to modify,
the Component pop-up window appears.
4. Modify the Component Group and Component Name.
5. Click to accept the changes. The new pure component appears on the
Pure Component form.

Removing Pure Components


To remove properties from the Pure Component form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. Right-click a cell (row header included) in the component row you want
to remove, and select Remove Component from the context menu.
The component will be removed from the Pure Component form.
Note: You cannot undo the removal.

Specifying Advanced Settings

4 Working with Individual Assays 47


Purpose
Specify the property distribution parameters, which are maximum boiling point
and standard deviation, for specific GC components.

The property distribution parameters cannot be set for all GC components. Only
GC components that can specify property distribution parameters are available
in the Component pop-up window when you add GC components.

Note: The composition of GC components are set to the same values as the Molecular
Characterization results. The Advanced Settings button is disabled when you enable
Molecular Characterization, since the Advanced Settings button does not control how
Molecular Characterization distributes the pure components among different tem-
peratures.

To specify the property distribution parameters:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. Click Advanced Settings. The Edit Property Distribution Para-
meters for AssayName dialog box appears. The AssayName refers
to the specific assay name you select to open the Input Assay form.
4. Double-click the first cell of the first empty row to add a new component
using the Component pop-up window. Components can only be specified
when property distribution parameters are available.
If you added GC components on the Pure Component tab, they appear
as default components on the Edit Property Distribution Para-
meters for AssayName dialog box.
5. Enter the maximum boiling point and standard deviation values for each
component listed.
When you select a GC component, the default maximum boiling point
and standard deviation values appear for each GC component. You can
modify a value by double-clicking the grid.
6. Click OK.
If you want to remove a GC component from the Edit Property Distribution
Parameters for AssayName dialog box, right-click the component that you
want to remove and select Remove Component from the context menu. The
default components cannot be removed.

Edit Property Distribution Parameters for


AssayName Dialog Box

Purpose
The Edit Property Distribution Parameters for AssayName dialog box is
used to specify maximum boiling point and standard deviation values for

48 4 Working with Individual Assays


specific GC components. The AssayName refers to the specific assay name
you select to open the Input Assay form.

To access the Edit Property Distribution Parameters for AssayName dialog box:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. Click Advanced Settings.

Items in Edit Property Distribution Parameters for


AssayName dialog box
l Component List column
List the pure component names. Methane, Ethane, Propane, i-
Butane, n-Butane and Benzene are default GC components in the Edit
Property Distribution Parameters for AssayName dialog box.
Default components cannot be removed, but you can modify their dis-
tribution parameter values.
l Max BP [C]
Enter the maximum boiling point value. Each GC component has a
default Max BP value.
l Std Deviation
Enter the standard deviation value. Each GC component has a default
Std Deviation value.

Buttons located at the bottom of the dialog box


l OK
Confirm to accept the values specified for each GC component.
l Cancel
Exit the Edit Property Distribution Parameters for AssayName
dialog box without saving any changes.
l Reset to Defaults
Revert the distribution parameter values to default values for all the GC
components listed. The Reset to Default button is activated only after
any default values are modified.

Entering Assay Data


When entering the pure component data, you can provide composition data for
the Naphtha cuts in addition to the whole crude. Besides, the weight% or
volume% of the pure component composition that you entered for a cut do not
need to add up to 100%.

All the data that you entered will be used in characterizing the assay.

To enter assay data on the Pure Component form:

4 Working with Individual Assays 49


1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Pure Component tab.
3. Select the Basis (%) for each cut.
4. Double-click each cell corresponding to the cut and pure component for
which you have data, and enter the component composition value.
By double-clicking a grid, you can modify the assay data on the Pure Com-
ponent form at any time.

Completing the Distillation Data


Tab
The Distillation Data tab displays a Distillation Data form. The Distil-
lation Data form is used to define the distillation data at different distillation
percentages. If you have assay distillation data in Aspen
HYSYS Petroleum Refining, when transferring assays into the Assay Man-
agement, the assay distillation data will be imported and shown on the Distil-
lation Data tab.

The Curve type, Basis, and Units are default elements in the pure component
form that cannot be modified or removed.

l Curve type
o TBP
o D86
o D1160
o D2887
l Basis
By mass - Distillation curve data is measured on mass basis.
By volume - Distillation curve data is measured on volume basis.
l Units
The unit of temperature for all Distillation % values. The unit is inherited
from the unit setting defined under File | Options.
Perform the following steps to complete the Distillation Data form:

1. Define assay cuts


2. Define distillation percentage
3. Enter assay data
On the Distillation Data tab, rows are used to display distillation percentage,
while columns are used to define cuts. An empty row and an empty column are
always available for you to add distillation percentage and new cuts.

50 4 Working with Individual Assays


l Distillation percentages can be added by double-clicking the empty row
header, or by right-clicking any grid and selecting Insert Distillation
Percent from the context menu.
l Distillation percentages can be edited by double-clicking a row header.
l Cuts can be added by clicking a column header.
l Cuts can be edited by changing the initial and final temperature of a cut.
l Distillation percentages and cuts can be removed by right-clicking any
grid in the row/column and selecting Remove Distillation Per-
cent/Remove Cut from the context menu.
0, 5%, 10%, 30%, 50%, 70%, 90%, 95% and 100% are the default distillation
percentages when the first cut is added. The default percentages can be
removed.

Make sure to specify the correct distillation curve type and basis of the data.
Temperature units can be changed by changing the default units system using
the File | Options menu.

Defining Assay Cuts


To complete a Distillation Data form, you must define assay cuts on the
Distillation Data tab. Assay cuts procedures include the following:

l Creating assay cuts


l Modifying assay cuts
l Removing assay cuts

Creating Assay Cuts


To create an assay cut in the Distillation Data form:

1. Click the Input Assay node. The Input Assay form of the desired
assay opens in the data browser.
2. On the Input Assay form, click the Distillation Data tab.
3. Click the column with guide text Click to Add Cut. The Set New Cut
dialog box appears.
4. Enter the following information:
o Cut name
o Initial temperature and its unit
o Final temperature and its unit
Note: Initial temperature and final temperature values entered appear in
the global temperature units used in the case. For example, if the global
unit set is English, the initial temperature and final temperature will
appear in Fahrenheit (F).
5. Click OK. A new assay cut is added into the Distillation Data form.
Repeat the procedure until you create all the needed assay cuts.

4 Working with Individual Assays 51


Modifying Assay Cuts
To modify an assay cut in the Distillation Data form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Distillation Data tab.
3. On the column header of the cut you want to modify, update the fol-
lowing information to complete modifying an assay cut:
o Cut name
o Initial temperature and its unit
o Final temperature and its unit
o Curve type
o Basis
Repeat the procedure until you modify all the assay cuts you want to change.

Removing Assay Cuts


To remove an assay cut from the Distillation Data form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Distillation Data tab.
3. Right-click a cell (column header included) under the cut column you
want to remove, and select Remove Cut from the context menu.
The cut will be removed from the Distillation form.
Note: you cannot undo the removal.

Repeat the procedure until you remove all the unnecessary assay cuts.

Specifying Distillation Percentage


To complete a Distillation Data form, you must specify the distillation per-
centage you want to display on the Distillation Data form:

l Insert distillation percent


l Modify distillation percent
l Remove distillation percent

Inserting Distillation Percentages


To insert a distillation percent on the Distillation Data form:

1. Click the Input Assay node. The Input Assay form of the desired
assay opens in the data browser.
2. On the Input Assay form, click the Data Distillation tab.
3. Right click a cell and select Insert Distillation Percent from the

52 4 Working with Individual Assays


context menu. A new line is inserted above the line where the clicked
grid belongs. Enter a distillation percent. The acceptable percent value is
from 0 to 100.
Default distillation percent on the Distillation Data form is 0, 5%,
10%, 30%, 50%, 70%, 90%, 95%, and 100%.
4. Double-click the first empty grid and enter the distillation percentage.
The acceptable percent value is from 0 to 100.

Modifying Distillation Percentages


To modify a distillation percentage on the Distillation Data form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Distillation Data tab.
3. Double-click the row header of the distillation percentage you want to
modify and enter the new distillation percentage.
4. Press the Enter. The new distillation percentage appears on the Distil-
lation Data form.

Removing Distillation Percentages


To remove a distillation percentage from the Distillation Data form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Distillation Data tab.
3. Right-click a cell (row header included) in the distillation percentage row
you want to remove, and select Remove Distillation Percent from
the context menu.
The distillation percentage is removed from the Distillation Data form.
Note: You cannot undo the removal.

Entering Assay Data


To enter assay data on the Distillation Data form:

1. Click the Input Assay node of the desired assay to open the Input
Assay form of the desired assay in the data browser.
2. On the Input Assay form, click the Distillation Data tab.
3. Double-click each cell corresponding to the distillation percent for which
you have data, and enter the value.
By double-clicking a grid, you can modify the assay data on the Distillation
Data form at any time.

4 Working with Individual Assays 53


Working with the Conventional
Results/Molecular Results Form
The Conventional Results/Molecular Results form is used to display the
characterization results of an assay. If an assay contains characterized assay
data, a Conventional Results or Molecular Results node will appear under
the assay node under the CaseName branch of the tree view. The Con-
ventional Results form displays the conventional characterization results
while the Molecular Results form displays the molecular characterization res-
ults.

Click the Conventional Results or Molecular Results node to open the cor-
responding form in the data browser.

The Conventional Results/Molecular Results form consists of the following


tabs:

l Results Summary tab


l Pure Component tab
l Distillation tab
l Property Table tab
l Message tab
By default, the Message tab displays all the irregularities found during the
assay characterization, such as the violation of the minimum and maximum
bounds of a property. Assay Management divides the irregularities into Error
and Warning.

Use the Results Summary tab, Pure Component tab, and Distillation tab
on the Conventional Results/Molecular Results form in the same manner
as the three tabs of the Input Assay form. You can specify to display the char-
acterization results calculated using different methods for the same index prop-
erty together on the Results Summary tab. Refer to the Working with the
Input Assay Form section, the Displaying the Same Property Multiple
Times in Different Units and Displaying the Same Index Property Mul-
tiple Times with Different Calculation Methods topics for details.

Data changes on the Input Assay form after characterization, such as adding,
removing or modifying cut and/or property data, appear automatically on the
Conventional Results or Molecular Results form when the assay is re-char-
acterized. In addition, any new cuts or properties that have been added or mod-
ified on the Conventional Results or Molecular Results forms are retained.

Note: To remove a cut or property from the Conventional Results/Molecular Results


form when the assay is re-characterized, you must remove the cut or property from both
the Input Assay form and the Conventional Results/Molecular Results form and
then redo the characterization.

54 4 Working with Individual Assays


Generating Plots
From the forms Assay Properties Summary, Input Assay or Con-
ventional Results/Molecular Results, you can generate the following plots:

l Cut Viscosities plot


l Cut Yields plot
l Distillations plot
l PNA plot
l Properties plot
l Viscosities plot
Besides above mentioned plots, the following four types of plot specific for
molecular method are available for you to analyze the profile optimization res-
ults:

l MC Property Profile plot


l Molecule Distribution plot
l Residual plot
l Segment Probability Distribution plot
These four types of plot can be generated from the Molecular Methods form.

When a plot type is selected, Assay Management will determine what to display
on the X and Y axes depending on the mouse focus. A blank plot is generated if
the system cannot determine what to display on the X and Y axes.

You can customize the layout of the plot.

Generating a Distillations Plot


Purpose
Generate a Distillations plot from the forms Assay Properties Summary,
Input Assay or Conventional Results/Molecular Results.

Before you start


Ensure the assay data has been characterized.

To generate a Distillations plot from an individual assay:

1. Click:
o The assay node for which you want to generate the Distillations
plot
o The Input Summary sub-node of the desired assay.
Or
o The Conventional Results/Molecular Results form of the
desired assay.

4 Working with Individual Assays 55


The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. On the Assay Management ribbon, click Distillations in the Plot
Gallery. The Distillations plot appears in the data browser.
3. Customize the Distillations plot using the options on the Format rib-
bon.

Generating a Viscosities Plot


Purpose
Generate a Viscosities plot from the forms Assay Properties Summary,
Input Assay or Conventional Results/Molecular Results.

Before you start


Ensure the assay data has been characterized.

To generate a Viscosities plot from an individual assay:

1. Click:
o The assay node for which you want to generate the Viscosities
plot
o The Input Summary sub-node of the desired assay.
Or
o The Conventional Results/Molecular Results form of the
desired assay.
The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. On the Assay Management ribbon, click Viscosities in the Plot
Gallery. The Viscosities plot appears in the data browser.
3. Customize the Viscosities plot using the options on the Format ribbon.

Generating a Cut Yields Plot


Purpose
Generate a Cut Yields plot from the Assay Properties Summary, Input
Assay, or Conventional Results/Molecular Results forms.

Before you start


Ensure the assay data has been characterized.

To generate a Cut Yields plot from an individual assay:

56 4 Working with Individual Assays


1. Click:
o The assay node for which you want to generate the Cut Yields
plot
o The Input Summary sub-node of the desired assay.
Or
o The Convention Results/Molecular Results form of the
desired assay.
The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. On the Assay Management ribbon, click Cut Yields in the Plot
Gallery. The Cut Yields plot appears in the data browser.
3. Customize the Cut Yields plot using the options on the Format ribbon.

Generating an MC Property Profile Plot


Note: The MC Property Profile plot is only available for assays with molecular profile eval-
uation or regression results. It can be generated from the Molecular Methods form.

To generate an MC Property Profile plot:

1. Click the Molecular Methods node of the desired assay to open the
Molecular Methods form in the data browser.
The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. Run evaluation or regression for the selected profile if this was not pre-
viously performed. After the evaluation or regression, the MC Property
option appears in the Plot Gallery.
3. Click MC Property in the Plot Gallery of the Assay Management rib-
bon. The MC Property Profile plot appears in the data browser.
Note: If you do not change the Input Assay data to get the Molecular Meth-
ods form for an assay from built-in assay library, the MC Property Profile plot
will be blank.
4. Customize the MC Property Profile plot using the options on the
Format ribbon.

Generating a Molecule Distribution Plot


Before you start
Ensure you have at least one molecule class with complete distribution para-
meters.

To generate a Molecule Distribution plot:

1. Click the Molecular Methods node of the desired assay to open the
Molecular Methods form in the data browser.

4 Working with Individual Assays 57


The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. On the Assay Management ribbon, click Molecule in the Plot
Gallery. The Molecule Distribution plot appears in the data browser.
3. Customize the Molecule Distribution plot using the options on the
Format ribbon.
If all the segment distribution parameters for a class are complete, you can gen-
erate a Molecule Distribution plot for this class by selecting the rows for this
class in the Molecular Specification table on the Parameters tab and then
clicking Molecular from the Plot Gallery. You can also select the classes dis-
played in the Molecule Distribution plot from the Format ribbon.

Generating a PNA Plot


Purpose
Generate a PNA plot from the Assay Properties Summary, Input Assay, or
Conventional Results/Molecular Results forms.

Before you start


Ensure the assay data has been characterized.

To generate a PNA/MC PNA plot from an individual assay:

1. Click:
o The assay node for which you want to generate the PNA/MC
PNA plot
o The Input Summary sub-node of the desired assay.
Or
o The Conventional Results/Molecular Results form of the
desired assay.
The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. On the Assay Management ribbon, click PNA/MC PNA in the Plot
Gallery. The PNA plot appears in the data browser.
3. Customize the PNA plot using the options on the Format ribbon.

Generating a Properties Plot


Purpose
Generate a properties plot from the forms Assay Properties Summary,
Input Assay or Conventional Results/Molecular Results.

58 4 Working with Individual Assays


Before you start
Ensure the assay data has been characterized.

To generate a properties plot from an individual assay:

1. Click:
o The assay node for which you want to generate the Properties
plot.
o The Input Summary sub-node of the desired assay.
Or
o The Conventional Results/Molecular Results form of the
desired assay.
The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. On the Assay Management ribbon, click Properties in the Plot
Gallery. The Properties plot appears in the data browser.
3. Customize the Properties plot using the options on the Format ribbon.

Generating a Residual Plot


Purpose
Generate a Residual plot from the Molecular Methods form.

To generate a Residual plot:

1. Click the Molecular Methods node of the desired assay to open the
Molecular Methods form.
The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. Run evaluation or regression for the selected profile, if this was not pre-
viously performed. After the evaluation or regression, the Residual
option appears in the Plot Gallery.
3. On the Assay Management ribbon, click Residual in the Plot
Gallery. The Residual plot appears in the data browser.
Note: If you do not change the Input Assay data to access the Molecular Meth-
ods form for an assay from the built-in assay library, the Residual plot will be
blank.
4. Customize the Residual plot using the options on the Format ribbon.

Generating a Segment Probability Dis-


tribution Plot

4 Working with Individual Assays 59


Purpose
Generate a Segment Probability Distribution plot from the Molecular
Methods form.

Before you start


Ensure you have at least one segment with complete distribution parameters.

To generate a Segment Probability Distribution plot:

1. Click the Molecular Methods node of the desired assay to open the
Molecular Methods form in the data browser.
The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. Click Segment. The Segment Probability Distribution plot appears
in the data browser.
3. Customize the Segment Probability Distribution plot using the
options on the Format ribbon.

Generating a Cut Viscosities Plot


Purpose
Generate a Cut Viscosities plot from the forms Assay Properties Sum-
mary, Input Assay or Conventional Results/Molecular Results.

Before you start


Ensure the assay data has been characterized.

To generate a Cut Viscosities plot from an individual assay:

1. Click:
o The assay node for which you want to generate the Cut Vis-
cosities plot
o The Input Summary sub-node of the desired assay.
Or
o The Conventional Results/Molecular Results form of the
desired assay.
The Plot Gallery group on the Assay Management ribbon is activ-
ated.
2. On the Assay Management ribbon, click Cut Viscosities in the Plot
Gallery. The Cut Viscosities plot appears in the data browser.
3. Customize the Cut Viscosities plot using the options on the Format rib-
bon.

Displaying %Volume X-Axis

60 4 Working with Individual Assays


By default, the X axis of the Properties plot represents the boiling points of
the assay from the initial temperature to the final temperature. The %Volume
X-Axis check box allows you to use the Properties plot to display a property
as a function of cumulative volume percentage.

The %Volume X-Axis is only available to the Properties plot.

To display the %Volume on the X axis:

1. On the Assay Management ribbon, click Properties from the Plot


Gallery to generate a Properties plot in the data browser.
2. On the Format ribbon, select the %Volume X-Axis check box in the
Plot group.
Assay Management will re-generate the curve to a property as a function
of volume percentage.

Showing the Data Match in a Plot


You can display the input and calculated bulk property of the wide cuts in a plot.

Note: The Show Data Match check box is only available for the Properties plot.

For Properties plot generated from plots Assays Summary, Assay Prop-
erties Summary, Input Assay or Conventional Results/Molecular Res-
ults, input data is shown as symbols, while calculated values are shown as
lines. The line spans the width of the cut (that is, from IBP to FBP of the cut).
The cut is defined on the Input Assay form of the assay.

For Properties plot generated from Cut Crudes form, bulk property values of
the old and new cuts are shown as lines of different colors. The width of each
line is defined by the IBP and FBP of the cut as defined on the Cut Information
tab of the Cut Crudes form. The lines that represent old cuts are thicker than
those of the new cuts and have lighter shades.

To show the data match:

1. On the Assay Management ribbon, click the desired plot type in the
Plot Gallery to generate a plot in the data browser.
2. On the Format ribbon, select the Show Data Match check box. The
input and calculated bulk property values will display in the plot.

4 Working with Individual Assays 61


62 4 Working with Individual Assays
5 Assay Management User
Interface

The user interface of Assay Management is introduced in the following sections:

l Forms
l Dialog boxes
l Context menu options

Forms Overview
The following forms are available in Assay Management:

l Assay Properties Summary form


l BackBlending Input form
l Conventional Results/Molecular Results form
l Download Assays Form
l Input Assay form
l Molecular Methods form
l Property Manager form
l Property Map form

Assay Properties Summary Form


Purpose
The Assay Properties Summary form has two functions:

l Provides basic information about the crude and assay including name,
PIMS code, source information, sample information, etc.
l Provides a summary of bulk property values. You can define the prop-
erties you wish to see on the Assay Properties Summary form.
To access the Assays Properties Summary form:

5 Assay Management User Interface 63


l Click the desired assay branch.

Items on the Assay Properties Summary form:


l Description tab
This tab is used to enter descriptive information about the crude and
assay, including:
o Name - The assay name. This field is read-only and is consistent
with the assay name displayed in the tree view.
o Display Name - A short name assigned to each assay auto-
matically by Assay Management. This field is read-only.
o PIMS Code - A three-character identifier for the assay to be
used in PIMS. Multiple set of Assays data obtained for the same
crude may be assigned the same PIMS code. If an assay is being
used in the Cut Crudes form, then the PIMS code here is read-
only. Otherwise, you can change the PIMS code here.
o Source Information
Details about the production location of the crude used to obtain
the assay data.
Region - The geographical area, such as Asia or Middle East.
Country - The country name.
Oil Field - The well name.
o Sample information
Details about the assay sample.
Lab Name - Name of the laboratory that performed the assay
analysis of the crude sample.
Sample Date - The date on which the experiment was per-
formed.
Assay Date - The date when you get the assay.
Sample ID - A unique identifier of the sample.
Source Reference - Additional reference information about the
assay data, such as publication name.
o Characterization Information
Details about the characterization activities.
Characterized by - The person who analyzed and characterized
the assay.
Last characterized - The date on which the assay was last char-
acterized.
Notes - Additional comments on the assay characterization.
l Details tab
This tab is used to display a summary of properties, including their bulk
values and the number of data points available. On the Details tab, the
same property can appear multiple times in different units, and the
same index properties can appear multiple times using different cal-
culation methods.

64 5 Assay Management User Interface


o Property - Define which properties appear on the form.
o Bulk Value - Display the calculated property value for the whole
crude. The Bulk Value is read-only and is available only after the
assay has been characterized.
o Number of Points - Display the number of assay cuts that has
the property value on the Input Assay form. The Number of
Points is read-only.
Note: Refer to the Specifying the Details Tab section for details about how
to define the properties on the Details tab.

Conventional Results/Molecular Results


Form
Use the Conventional Results/Molecular Results forms to show the results
of assay characterizations. Assay Management estimates missing assay prop-
erties based on the original assay data entered on the Input Assay form.
Assay data in the Input Assay form can be modified and re-characterized.

To access the Conventional Results/Molecular Results form:

l Click the Conventional Results or Molecular Results node. The


form opens in the data browser with a tab name AssayName- Con-
ventional Results/AssayName- Molecular Results.
The Conventional Results node appears for the assays characterized
using the conventional characterization. The Molecular Results node
appears for the assays characterized using the molecular char-
acterization.
Note: The Conventional Results/Molecular Results node in the tree view is
visible for characterized assays.

Items on the Conventional Results/Molecular Results form:


l Results Summary tab
Display output properties for the whole crude and product cuts.
l Pure Component tab
Display details about the pure components that comprise the whole
crude or any product cuts.
Default settings in the Pure Component tab are Basis (%) and Com-
ponents.
l Distillation tab
Display distillation data, such as TBP, D86, of the whole crude or any
product cuts.
Default settings in the Distillation tab are Curve type, Basis and
Units.
l Message tab
Display the diagnostic messages detected during the characterization.

5 Assay Management User Interface 65


o Priority - The seriousness of the diagnostic message, "Error" or
"Warning." If an error occurs, the characterization was not suc-
cessful, and the assay cannot be used.
o Description - Details of the diagnostic messages.
l View Inputs
Switch to the Input Assay form.
l Flash Assay
Launch the Flash Assay Data for Whole Crude dialog box to perform
the flash assay re-characterization.
l Molecular Properties
Launch the Select Molecular Properties dialog box to add selected
molecular properties to the Results Summary tab. This button is only
available to the conventional characterization.

Component Manager Form


Note: The Assay Manager Component Manager (Library) is used to handle the rare user-
defined component that may be imported or otherwise created outside of the HYSYS lib-
rary. The Assay Manager references the main HYSYS components library for all other val-
ues and calculations.

To access the Component Manager form:

1. From the Customize | Assay Management ribbon, click Component


Libraries.
2. Click the Component Library node.

66 5 Assay Management User Interface


Items on the Component Manager form:
l Name
Define the name of each component. This field is read-only for built-in
components.
l Synonym
Define a second name of each component.
l Formula
Enter the chemical formula of each component. This field is read-only
for built-in components.
l CAS Number
Enter the CAS registry number. This field is read-only for built-in com-
ponents.
l Group
Select the group to which a component belongs. This field is read-only
for built-in components.
l MolecularWeight
Enter the molecular weight of each component. This field is read-only
for built-in components.
l Properties
Enter properties value for each component. All the properties in the
property library appear in the Component Manager form as separate
columns.

Download Assays Form


The Download Assays form is used to select the assays that you want to
download from external websites for your own personal use.

To access the Download Assays form:

l On the Assay Management ribbon, click Download Assays in the


Assay group.

Items on the Download Assays form:


l Assay data source
Select to display the available assays from a specific external source.
l Region
Use to filter assays from a given region.
l Country
Use to filter assays from a specific country.
l

Select the check box to download an assay from an external source. Use
the check box on the column head to select all the available assays.
l Source
Display the external source for each assay.

5 Assay Management User Interface 67


l Name
Display the name of each assay.
l Description
Display a short description for each assay.
l Region
Display the geographical location of each assay.
l Country
Display the country origin of each assay.
l Last Updated
Display the date of the latest update made to the assay data on the
source website. If the Last Updated date is later than the Download
Date, a icon appears before the last updated date, indicating that
more recent data is available for the crude compared to the ones you
have downloaded to your computer.
l Download Date
Display the date that the assay was downloaded to your computer.
l Build assay library offline
Select to add the downloaded external assays to a user defined assay lib-
rary in Assay Management.
When Build assay library offline is selected, the download process is
independent of the current case (that is, offline). Therefore, you can
close the current case if you wish. While the user library is being
updated, it is not accessible in any Assay Management cases.
It is recommended that you use this option when downloading a large
number of assays for the purpose of updating the custom library,
because the assays must be characterized before they can be added to
the library, and characterization takes a significant amount of time -
between 30 to 50 seconds per assay depending on the computer hard-
ware. Building the assay library offline allows you to perform other tasks
without having to wait for the process to complete.

Petroleum Assays Form


The Petroleum Assays form is used to display the key information for all the
assays in the current case. All the assays in the tree view are listed in the Pet-
roleum Assays form.

All the assay information on this form is read-only. If any changes are made to
an assay, the values in the Petroleum Assays form will change accordingly.

To access the Petroleum Assays form:

l Select the Properties tab and click the Petroleum Assays node.

Default items on the Petroleum Assays form:


l Display
Filter the assays in the Petroleum Assays form by geographical

68 5 Assay Management User Interface


regions.
l Country
Filter assays by country of origin of the crudes. This drop-down list
appears when a region other than All Regions is selected from the Dis-
play drop-down list.
l Assay
Assay names of all the active assays in the current case, subject to the
Display and Country filters.
l Characterization method
Display the method used for characterization, conventional or molecular.
l Status
Indicates whether the assay data is characterized or not. The assay can
be in one of these five statuses:
o Input Only - the assay is not characterized.
o Input Changed - the input data has been changed after char-
acterization, and re-characterization is required before the assay
can be used.
o Characterized Successfully - the assay is characterized.
o Characterization Error - the assay is characterized, but there
may be some issues with the data or results. You should review
the Messages tab of the Conventional Results/Molecular
Results form and make necessary changes to the input data and
re-characterize the assay.
o Characterization Failed - the characterization is not suc-
cessful, and the assay cannot be used for cutting or to create a
blend.
l Default cut properties
Four assay properties are in the Petroleum Assays form by default:
o Density (kg/m3)
o Sulfur (%)
o Viscosity (cSt) @ 37.78 C, and
o Watson K

The unit of the property is determined by the global units selected on the
Assay Management ribbon. For example, if the global unit set is Eng-
lish, Density appears with unit API.

Buttons located at the bottoms of the form:


l Add
Create a new assay by:
o Importing from library
o Importing from excel files
o Manually entering
l Export
Save the selected assays as an Assay Management case file (.afam).

5 Assay Management User Interface 69


l Copy
Create a copy for the selected assays in the current case.
l Delete
Remove the selected assays.

Input Assay Form


Use the Input Assay form to enter available experimental assay data includ-
ing properties, pure components composition, and distillation data for different
product cuts.

To access the Input Assay form:

l Select the Input Assay node.

Items in the Input Assay form:


l Input Summary tab
Used to define the property data for the whole crude and product cuts.
The data entered on this tab includes yields and lab assay properties
such as degrees API, sulfur content, cold properties, and so on.
l Pure Component tab
Used to define the property data for the whole crude and product cuts.
The data entered on this tab includes yields and lab used to enter the
pure components composition data obtained from light-end or GC ana-
lysis of the whole crude or Naphtha cuts. Cuts defined on this tab must
have the corresponding cuts on the Input Summary tab, since yield
data from the Input Summary tab are required in the analysis of GC
data.
GC data for components heavier than i-Pentane can span multiple Naph-
tha cuts. We recommend that you enter lighter components (C1-iC5) for
the whole crude or for a light-end cut that spans IBP to 36 °C. The cor-
responding light-end cut must be defined on the Input Summary tab
with appropriate cut yield. For light-end or Naphtha cut, the GC com-
position data are relative to the cut itself, which means the composition
is based on the 100% basis.
Pure components data provided will be used during characterization and
will be matched as closely as possible. For components that span mul-
tiple cuts, their compositions will be distributed subject to material bal-
ance constraint for each cut and for the whole crude.
If pure components data are not available, Assay Management can pre-
dict their compositions and distribution in the Naphtha range using a cor-
relation and heuristics that depend on the cut PNA content, TBP curve,
and distribution parameters. You can change the distribution parameters
to improve the component distribution using the Edit Property Dis-
tribution Parameters dialog box. Click the Advanced Settings but-
ton on the Pure Component tab to open the dialog box. Maximum BP
and standard deviation can be changed from the default values to

70 5 Assay Management User Interface


influence the distribution. Increasing the standard deviation will spread
out the component more.
The Basis (%) and Components are the default settings on the Pure
Component tab.
l Distillation Data tab
Used to enter distillation curve data, such as TBP or D86 curve, of the
whole crude or any product cuts. Typically, TBP curve of the whole crude
is available and can be entered here.
On the Distillation Data tab, rows are used to display distillation per-
centage, while columns are used to define cuts. An empty row and an
empty column are always available for you to add distillation percentage
and new cuts.
The Curve type, Basis and Units are the default settings on the Distil-
lation Data tab.
o Distillation percentages can be added by double-clicking the
empty row header, or by right-clicking any grid and selecting
Insert Distillation Percent from the context menu.
o Distillation percentages can be edited by double-clicking a row
header.
o Cuts can be added by clicking a column header.
o Cuts can be edited by changing the initial and final temperature of
a cut.
o Distillation percentages and cuts can be removed by right-click-
ing any grid in the row/column and selecting Remove Distil-
lation Percent/Remove Cut from the context menu.
0, 5%, 10%, 30%, 50%, 70%, 90%, 95% and 100% are default dis-
tillation percentages when the first cut is added. The default percentages
can be removed.
Make sure to specify the correct distillation curve type and basis of the
data. Temperature units can be changed by changing the default units
system using the File | Options menu.
l Status message
Indicate the assay data status or characterization result.
l Characterize Assay
Characterize the assay and display the results in the Conventional Res-
ults/Molecular Results form. This button characterizes assays using
conventional characterization by matching assay cut properties.
l Enable edit
The Enable edit button appears on the Input Summary tab only when
the assay is imported from the Aspen Assay Library. Clicking this button
allows you to edit the data. Once Enable edit is clicked, the button dis-
appears.

5 Assay Management User Interface 71


Note: Editing assay library input data is not recommended, because this input
data is not actual laboratory data for the assay. Rather, they are model results,
that is, characterization results that closely match the input data or are estimated
using correlations. This “model” provides not only a close representation of the
data, but also property values beyond the range of the original data.

Since an assay can be created using a number of methods, the data shown on
the Input Assay form varies greatly in terms of the number of cuts and prop-
erties available and the completeness of data.

BackBlending Form
Back-blending takes the individual yields and distillation curves for each of the
products coming off of a distillation tower, and re-combines them to make a
whole crude. The whole crude created by back-blending is a pseudo-crude that
corresponds to whatever is coming out of the distillation tower, so it does not
matter what crude(s) are being fed into the tower. To use back-blending, you
must run distillation curves and measure the yields for all of the product
streams coming out of the tower. The distillation curves and yields meas-
urement can be performed in a lab. It is useful to also measure other prop-
erties such as standard liquid density and sulfur content of each product.

Backblending lets you define feed streams by blending their associated


products. The input products are typically defined in commercial distillations
that have significant overlap across products. Backblending creates an assay
from these overlapping measurements that can be used as a HYSYS Petroleum
Refining feed stream.

To access the BackBlending input form:

l Select the BackBlending option on the New Assay dialog box.

Items in the Input Assay Form


To complete the BackBlending form, you must complete the Light Streams
and Heavy Streams tabs. Ensure that the yields of all of the light and heavy
product streams sum up to 100%.

l Light Streams tab


The Light Streams tab is used to define the lighter product streams,
which can include the off-gas and Naphtha streams. These products will
be analyzed in the lab using GC analysis. The reported pure component
compositions and yields must be entered on this tab. The procedure for
defining pure component on this tab is the same as that for the Pure
Components tab of the Input Assay form.
l Heavy Streams tab
The Heavy Streams tab is used to define the heavier product streams,
which can include the kerosene, distillate, gas-oil, and residue streams.
These products will be analyzed in the lab using D86 and D1160 dis-
tillation methods. Bulk properties, such as specific gravity, are also

72 5 Assay Management User Interface


measured. The yield, distillation curve, specific gravity, and other prop-
erties for each product must be entered on this tab. The procedure for
entering property and distillation curve data is the same as that used in
the Input Summary tab and Distillation Data tab of the Input Assay
form.
l Status message
Indicate the assay data status or characterization result.
l Characterize Assay
Characterize the assay and display the results in the Conventional Res-
ults/Molecular Results form. This button characterizes assays using
conventional characterization by matching assay cut properties.

Completing the Light Streams Tab


The Light Streams tab displays a Light Streams form. The Light Streams
form is used to define the pure components that exit in the crude assay. The
Light Streams tab is used to define the lighter product streams, which can
include the off-gas and Naphtha streams. These products will be analyzed in the
lab using GC analysis. The reported pure component compositions and yields
must be entered on this tab. The procedure for defining pure component on this
tab is the same as that for the Pure Components tab of the Input Assay
form.

The Basis (%) is a default element in the Light Stream form that cannot be
modified or removed. The Basis (%) has three options:

l By mass - The ratio calculation is based on mass quantity.


l By volume - The ratio is based on volume quantity.
l By mole - The ratio is based on mole quantity.
Cut Yield is a default property in the Light Stream form that cannot be
removed. The cut yield can be calculated by volume, by weight or by mole. You
can also change the unit of the cut yield.

Execute the following steps to complete the Light Streams tab:

1. Define assay cuts


2. Define pure components
3. Enter assay data
Ensure that the yields of all of the light and heavy product streams sum up to
100%.

Completing the Heavy Streams Tab


The Heavy Streams tab displays a Heavy Streams form. The Heavy
Streams form is used to define the property data for the whole crude and
product cuts and the distillation data at different distillation percentages. The

5 Assay Management User Interface 73


Heavy Streams tab is used to define the heavier product streams, which can
include the kerosene, distillate, gas-oil, and residue streams. These products
will be analyzed in the lab using D86 and D1160 distillation methods. Bulk prop-
erties, such as specific gravity, are also measured. The yield, distillation curve,
specific gravity, and other properties for each product must be entered on this
tab. The procedure for entering property and distillation curve data is the same
as that used in the Input Summary tab and Distillation Data tab of the
Input Assay form.

The Curve type, Basis, and Units are default elements on the Heavy Streams
form that cannot be modified or removed.

l Curve type
o TBP
o D86
o D2887
o D1160
l Basis
By mass - Distillation curve data is measured on mass basis.
By volume - Distillation curve data is measured on volume basis.
Perform the following to complete the Heavy Streams form.

1. Define assay cuts


2. Defining distillation percent
3. Define assay properties
4. Enter assay data
Ensure that the yields of all of the light and heavy product streams sum up to
100%.

Molecular Methods Form


Use the Molecular Methods form to choose an existing molecular profile from
the built-in profile library or customer profile files, edit, evaluate or optimize
the selected profile, and save the updated profile.

The Molecular Methods form is available only when Molecular Char-


acterization is enabled.

Note: For assays from built-in assay libraries, the Molecular Methods form/node can be
available only after you change assay input data.

To access the Molecular Methods form:

1. Enable the molecular characterization.


2. Select the Molecular Methods node under desired assay branch.

74 5 Assay Management User Interface


Items on the Molecular Methods form:
The Molecular Methods form contains the following tabs:

l Parameters tab
Used to select and display an existing profile, modify the parameters in
the profile, enable or disable data regression, setup and update
regressed parameters, and save the changed profile.
The Parameters tab is always active.
l Data Setup tab
Used to set up the data for evaluation or regression, and specify the
algorithm for data regression. The Data Setup tab is always active.
l Residuals and Summaries tab
Used to display the evaluation or regression results. The Residuals and
Summaries tab is activated once the evaluation or regression results
are available.

The icon on the Parameters and Data Setup tabs indicates the tabs are
adequately specified, and the icon indicates the settings on the tabs are not
properly specified.

The evaluation or regression results appear on the Residual and Summaries


tab. The icon appears next to the tab name indicates the evaluation or
regression is successful, the icon indicates error occurs during the eval-
uation or regression, and the icon indicates input change.

Buttons located at the bottom of the Molecular Methods


form:
l Run evaluation/regression
Start to evaluation or optimize the profile in the evaluation/regression
run mode. The button name varies depending on whether or not Enable
regression is selected. The Run regression button is unavailable until
the Parameters tab is complete.

Parameters Tab
The Parameters tab is used to select an existing profile from the built-in pro-
file library or customer profile files (.prof), display the parameters in the pro-
file, modify the parameters, setup and update regressed parameters and save
the changed profile.

For a new assay, Assay Management automatically determines a profile from


the built-in profile library according to the oil field, country or region of the new
assay. You can re-select the profile for the new assay.

For assay without oil field, country or region information, a default profile, Ini-
tial Profile.prof, is selected by the system.

5 Assay Management User Interface 75


The Parameters tab is always active once Molecular Characterization is
enabled.

Items on the Parameters tab:


l Profile name
Display the name of the profile associated with the assay.
l Enable regression
Enable or disable data regression.
When Enable regression is selected, the Algorithm field on the Data
Setup tab and the Basic Setup button will be activated. In addition, the
Run evaluation button changes to Run regression, but the Run
regression button is unavailable until the Parameters tab is complete.
l Molecular Specification table
Display the specifications of a molecular.
l Molecular Classes
Display the compound classes.
l Wt(%)
Display the weight percents of each compound class. The weight per-
cents of the 13 compound classes do not need to add up to 100%. The
system will normalize them during the evaluation or regression process.
l Carbon number
Display the average carbon number of each compound class.
The average carbon number is calculated according to the molecular dis-
tribution and synchronized with changes of distribution function para-
meters.
l Centroid Tb (C)
Display the centroid boiling temperature of each compound class.
The centroid boiling temperature is the boiling point at half cumulative
yield of the class. It is calculated according to the molecular distribution
and synchronizes with changes of distribution function parameters.
l ρ(km/m3)
Display the average standard liquid density of each compound class.
The average density is calculated according to the molecular distribution
and synchronizes with changes of distribution function parameters.
l Molecular Distribution
Launch the Distribution settings dialog box by clicking the Molecular
Distribution button. The color of the Molecular Distribution button
indicates the status of the parameter inputs for each compound class.
Note: The Molecular Distribution column is available in the Shortcut view
only.
l Segment Name
Display the segment name. This column is read-only.
l Segment Structure
Display the structure of each compound segment. This column is read-
only.

76 5 Assay Management User Interface


l Function
Select the distribution function for each segment. Two options are avail-
able: Gamma and Uniform.
l β
Specify the scale parameter for the Gamma function. It is also the value
for the mole fraction of 6CR (6-Carbon Ring) in the Naphthenes class and
Naphthenic Sulfides class as well as the value for Asphaltene factor in
the Aromatics class.
l α
Specify the shape parameter for the Gamma function.
l Viscosity table
Specify the values for the parameters used in the viscosity mixing rule.
The Viscosity table has the following columns:
o Parameter
List the parameters used in the viscosity mixing rule.
k0 is the interaction parameter between paraffins and naph-
thenes/aromatics. The value of k0 is usually negative.
k1, k2 and k3 are t he interaction parameters to account for
impact of asphaltenes.
k1 is the base interactions between asphaltenes and the other
components.
k2 is the temperature dependence of the interactions between
asphaltenes and the other components.
k3 is the asphaltene concentration dependence of the interactions
between asphaltenes and the other components.
o Value
Enter the value of each parameter by double-clicking the cell.
Warning message pops up if you enter an invalid value.

Buttons located on the Parameters tab:


l Basic Setup
Sets up a regression case automatically. The regressed parameters on
the Parameters tab and the data to be used for regression on the Data
Setup tab are selected automatically when clicking Basic setup.
The Basic Setup is active only when Enable regression is selected.
l Select profile
Select an existing profile from the built-in profile library or user files.
l Save profile
Save any changes in profile parameters. The parameter changes can be
those manually input or regressed.

Hide or expand the lines under the Nitrogen Molecules and/or Oxy-
gen Molecules segments in the Molecular Specification table.

5 Assay Management User Interface 77


Data Setup Tab
The Data Setup tab is used to set up the data for evaluation or regression and
the algorithm options for regression. The Data Setup tab is always active once
the Molecular Characterization is enabled.

Items on the Data Set tab:


l Algorithm area
Set up the regression control information. The Algorithm area is activ-
ated only when data regression is enabled.
o Tolerance
Specify the convergence tolerance. The default value is 0.0001.
o Maximum iterations
Specify the maximum number of iterations allowed. The default
value is 100.
l Data Setup area
Specify the experimental input assay data to be used in the evaluation or
regression, as well as the standard deviation for the data.
o Active
Determine whether or not to include the data type (property) in
the evaluation or regression. All the data is selected by default,
and the yield data is always included. The Active check box for
yield data is selected and disabled.
o Available Exp. Input Data
List the assay data available on the Input Summary form which
are supported by the molecular method. The Available Exp.
Input Data column is read-only. The assay data displayed varies
depending on the assay data input on the Input Assay form. The
properties without data entries on the Input Assay form will be
listed in the Available Exp. Input Data column but cannot be
selected.
When the assay data is active for data regression, the data points
for all the cuts, as well as the bulk value, will be used.
The properties supported by molecular characterization are as fol-
lows:
o CutYieldByWt
o CutYieldByVol
o LiquidDensity
o StdLiquidDensity
o SpecificVolume
o MolecularWeight
o CriticalTemperature
o CriticalPressure
o CriticalVolume
o DynamicViscosity

78 5 Assay Management User Interface


o KinematicViscosity
o Watson K
o AsphalteneByWt
o SulfurByWt
o AromByVol
o AromByWt
o NaphthenesByVol
o NaphthenesByWt
o ParaffinsByVol
o ParaffinsByWt
o RVP
o TVP
o CarbonByWt
o HydrogenByWt
o CtoHRatioByWt
o ThiophenesByVol
o ThiophenesByWt
o TotalAcidNumber
o WaxContent
o C5Mass
o C5Vol
o nC7ByWt
o N+2AN+A
o BasicNitrogenByWt
o ConradsonCarbonByWt
o NitrogenByWt
o MercaptanSulfurByWt
o SulfideByWt
o MicroCarbonResidueByWt
o NapththenicAcidByWt
o NapththenicAcidByVol
o SaturatesByVol
o SaturatesByWt
o Refractldx
o NaphthalenesByWt
o NaphthalenesByVol
o nParaffinsByWt
o nParaffinsByVol
o isoParaffinsByWt
o isoParaffinsByVol

5 Assay Management User Interface 79


o Std-dev (%)
Specify the standard deviation for each assay data type. Each
property has a default standard deviation which can be modified.

Residuals and Summaries Tab


The Residuals and Summaries tab is used to display the property residuals
and regression statistics. The Residuals and Summaries tab display the eval-
uation or regression results when the evaluation or regression run is com-
pleted.

The Residual and Summaries tab is read-only.

Items on the Residuals and Summaries tab:


l Summary area
Display a summary of the evaluation or regression results. Under the
evaluation mode, only the Residual sum of squares is active.
o Regression status
Display the regression status string. The regression status
includes Converged and Iteration Limit.
o Objective function
Display the value of the objective function.
o Number of iterations
Show the actual number of iterations used during the regression.
o Residual sum of squares
Display the value of the residual sum of squares.
l Residual table
Display the input data, calculated value and errors between the two for
each property of all cuts.
The Err. in the Residual table is calculated using the following formula:
Err=(Est-Exp)/(|Exp|∙σ)
Where:
o Err. - Error for a data point.
o Est - The estimated value for the data point.
o Exp - The measurement value for the data point.
o σ - The standard deviation for the data point.
Pointing the cursor to an Err. grid displays the formula inform-
ation in a tooltip.

Property Manager Form


Use the Property Manager form to view the detailed attributes of each prop-
erty in the property library.

To access the Property Manager form:

80 5 Assay Management User Interface


l On the Customize ribbon tab, from the Assay Management group,
select the Property Library button.

Items on the Property Manager form:


l Property Name
Display the name of each property.
l PIMS Code
Display the three-character identifier for the property to use in PIMS.
You can edit the PIMS code in the property manager by double-clicking
the grid.
l Unit
Display the unit of each property.

Dialog Boxes Overview


The following topics describe the Assay Management dialog boxes:

l Add Assay to Custom Library Dialog Box


l Add Cut Dialog Box
l Annotation Editor Dialog Box
l Build Assay Library Offline Complete Dialog Box
l Cut Property Dialog Box
l Define Cut Dialog Box
l Display Assay Description Dialog Box
l Edit Formula Panel
l Edit Legend Dialog Box
l Edit Property Distribution Parameters for AssayName Dialog Box
l Edit User Defined Methods Dialog Box
l Guide Point Table Dialog Box
l Import Assay Data from Files Dialog Box
l Migrate Custom Library Dialog Box
l Modify Temperature Dialog Box
l New Assay Dialog Box
l New Property Dialog Box
l Options Dialog Box
l Property Details Dialog Box
l Property Pop-up Window
l Regression Specification Pop-up Window
l Run Regression Dialog Box
l Search Profile Dialog Box
l Select Assays Dialog Box
l Select Class Dialog Box

5 Assay Management User Interface 81


l Select Property Dialog Box
l Temperature Range Dialog Box

Add Assay Dialog Box


Use the Add Assay dialog box to select assays from assay library and add
them to the case.

To access the Add Assay dialog box:

l Click Add | Import from Library from the drop down list at the bot-
tom of the Assay Summary form.

Items in the Add Assay dialog box:


l Search Criteria area
Enter one or several search criteria to display the assays that meet the
criteria in the Select Assay area. In this way, you can narrow down the
possible options.
o Select Library
A drop-down list for you to select the assay library from which
you want to import assays.
Aspen Assay Library - Search in built-in library. This library
contains assays for the most important crude oils in world trade
that AspenTech licensed from PennEnergy research (publisher of
Oil & Gas Journal), and Eni S.p.A.
Custom Library - Search in the custom assay library. Custom
library is created by user.
All - Search in both built-in and custom libraries.
o Assay Name
Enter a full assay name or part of the name.
o Region
Filter assays by region.
o Country
Filter assays by country. The Country drop-down list appears
when a region other than All Regions is selected.
o Properties
Specify the minimum value, maximum value and unit of certain
properties as search criteria. The properties that can be used as
search criteria are StdLiquidDensity, SulfurByWt, Kinemat-
icViscosity, TAN (Total Acid Number) and PourPoint.
l Select Assay area
Display assays that meet the criteria specified. You can select an assay
to use from this list.

82 5 Assay Management User Interface


Buttons located at the bottom of the dialog box:
l Clear
Remove all search criteria.
l OK
Confirm your selection and import selected assays to the case.
l Cancel
Revert the selection and exit the Add Assay dialog box.

Add Assay to Custom Library Dialog Box


Use the Add Assay to Custom Library dialog box to select the assays you
want to send to the user-defined assay library.

To access the Add Assay to Custom Library dialog box:

1. From the Assay Management navigation pane, select the Libraries tab.
2. Click the Assay Library node, the Assay Library Summary form
opens in the data browser.
3. On the Assay Management ribbon:
o Click the New icon (graphic at top)
Or
o Click the New label (text under icon), and select From Case
from the sub-menu.

Items in the Add Assay to Custom Library dialog box:


l Case Characterized Assays
List the characterized assays in the current case.
l Include
Select the assays you want to send to the user-defined assay library.

Buttons located at the bottom of the dialog box:


l OK
Confirm to send the selected assays to the custom assay library.
l Cancel
Revert the selection and exit the Add Assay to Custom Library dialog
box.

Add Cuts Dialog Box


Use the Add Cuts dialog box to specify one or more cuts of the selected assays
to display in the plot.

To access the Add Cuts dialog box:

1. Generate a desired plot in the data browser.


The Format ribbon appears.

5 Assay Management User Interface 83


2. On the Format ribbon, click Add Cuts. The Add Cuts dialog box
appears.

Items in the Add Cuts dialog box:


l Name
Enter a cut name.
l IBP
Enter the initial boiling point of the cut and select the unit from the drop-
down list on the column header. “IBP” itself is a valid entry. "IBP"
denotes the final boiling point of the assay.
l FBP
Enter the final boiling point of the cut and select the unit from the drop-
down list on the column header. “FBP” itself is a valid entry. "FBP"
denotes the final boiling point of the assay.

Buttons located at the bottom of the dialog box:


l OK
Confirm to display specified cuts in the plot.
l Default
Revert the specified cuts to the default cuts.
l Cancel
Revert the changes and exit the Add Cuts dialog box.

Annotation Editor Dialog Box


Use the Annotation Editor dialog box to enter and display additional text in
the plot.

To access the Annotation Editor dialog box:

1. Generate a desired plot in the data browser.


The Format ribbon appears.
2. On the Format ribbon, click Add Text. The Annotation Editor dialog
box appears.

Items in the Annotation Editor dialog box:


l Text
Enter the annotation texts you want to display in the plot.

Buttons located at the bottom of the dialog box:


l Font
Open the Font dialog box for you to change the font of the texts such as
the font style, size, etc.
l OK
Confirm to display the texts in the plot.

84 5 Assay Management User Interface


l Cancel
Revert the editing and exit the Annotation Editor dialog box.

Build Assay Library Offline Complete Dialog


Box
The Build Assay Library Offline Complete dialog box indicates that the
assays downloaded from external sources have been added to the Custom
assay library. You can open the log file from the Build Assay Library Offline
Complete dialog box.

To access the Build Assay Library Offline Complete dialog box:

l On the Download Assays form, start assay download with the Build
assay library offline check box selected.
The Build Assay Library Offline Complete dialog box appears when
the entire process is complete.

Items in the Build Assay Library Offline Complete dialog


box
l Information text
Indicate that custom assay library has been updated using the down-
loaded assays.
l View log file
Select the check box and click OK to open the log file.

Buttons located at the bottom of the dialog box


l OK
Close the dialog box or open the log file if the View log file check box is
selected.

Cut Property Dialog Box


Use the Cut Property dialog box to specify the cut property information when
adding a new cut property column into the Petroleum Assays form.

To access the Cut Property dialog box:

1. In the Petroleum Assays form, right-click a column header.


2. Select Add Cut Property or Edit Cut Property from the context
menu. The Cut Property dialog box appears.

Items in the Cut Property dialog box:


l Group
Select the property group the cut property belongs to. Properties are
divided into groups, such as Yields, Distillation, etc.

5 Assay Management User Interface 85


l Property
Select the target property
The properties available in the Property drop down list vary depending
on the group you chose in the Group drop-down list.
l Property unit
Select a unit for the selected property.
The property units displayed in the Property unit drop down list varies
depending on the property you chose in the Property drop-down list.
The Property unit drop-down list will be disabled when the property
does not need a property unit.
l Parameter
Specify a parameter for the selected property.
The Parameter field is enabled when a parameter should be defined for
the selected property. The parameter name varies depending on the
selected property. For example, the Parameter field displays as Tem-
perature when you select LiquidDensity in the Property drop-down
list.
l Parameter unit
Select a unit for the selected parameter.
The Parameter unit field is enabled when the Parameter field is
enabled. The units displayed in the Parameter unit drop down list vary
depending on the parameter you chose in the Parameter field.
l Cut name
Enter a name for the cut.
l IBP
Define the initial boiling point of the cut and the temperature unit. “IBP”
itself is a valid entry.
l FBP
Define the final boiling point of the cut and the temperature unit. “FBP”
itself is a valid entry.

Buttons located at the bottom of the dialog box:


l Add to Grid
Confirm your settings for the new cut property, and add the new cut prop-
erty on the Petroleum Assays form.
The Add to Grid appears when you select Add Cut Property.
l Update
Confirm your changes to the cut property, and display the modified cut
property on the Petroleum Assays form.
The Update appears when you select Edit Cut Property from the con-
text menu.

86 5 Assay Management User Interface


Define Cut Dialog Box
Use the Define Cut dialog box to modify the cut name and set the cut point
temperatures of the selected assays. The default cut spans the entire assay.

Only one cut can be defined in the Define Cut dialog box.

To access the Define Cut dialog box:

1. Generate a desired plot in the data browser.


The Format ribbon appears.
2. On the Format ribbon, click Define Cut.

Items in the Define Cut dialog box:


l Name
Enter a cut name.
l IBP
Enter the initial boiling point of the cut and select the unit from the drop-
down list on the column header. “IBP” itself is a valid entry. "IBP"
denotes the initial boiling point of the assay.
l FBP
Enter the final boiling point of the cut and select the unit from the drop-
down list on the column header. “FBP” itself is a valid entry. "FBP"
denotes the final boiling point of the assay.
The unit of the IBP and FBP is automatically synchronized. If you change the
unit of IBP, the unit of FBP will change accordingly.

Buttons located at the bottom of the dialog box:


l OK
Confirm to display the temperature range of the specified cut on the X
axis.
l Default
Revert the cut definition to the default cut, which is the entire assay.
l Cancel
Revert the changes and exit the Define Cut dialog box.

Display Assay Description Dialog Box


Use the Display Assay Description dialog box to add or remove basic assay
information in the Petroleum Assays form.

To access the Display Assay Description dialog box:

1. Right-click a column header on the Petroleum Assays form.


2. Select Display Assay Description from the context menu. The Dis-
play Assay Description dialog box appears.

5 Assay Management User Interface 87


Items in the Display Assay Description dialog box:
l Assay description
A list of all the basic assay information that can be displayed in the Pet-
roleum Assays form, including:
o PIMS Code
o Display name
o Region
o Country
o Oil Field
o Lab Name
o Sample ID
o Source Reference
o Characterized by
o Last characterized
o Notes
All the assay descriptions are defined in the Description tab in the Assay
Properties Summary form.

l Include
Check boxes for you to select which assay descriptions should be dis-
played in the Petroleum Assays form.

Buttons located at the bottom of the dialog box:


l OK
Confirm your selection, and display the selected assay information in the
Petroleum Assays form.
l Cancel
Revert your changes and exit the Display Assay Description dialog
box.

Edit Formula Panel


The Edit Formula panel is used to edit the formula string in the New Prop-
erty or Edit User Defined Methods dialog box.

To access the Edit Formula panel:

l In the New Property or Edit User Defined Methods dialog box,


double-click the Formula field.
Alternatively, click the Edit Formula up or down arrow to display or
hide the Edit Formula panel.
Note: Expanding the Edit Formula panel also makes the Formula field editable.

88 5 Assay Management User Interface


Items in the Edit Formula panel:
l Button area
Buttons of numbers, mathematical operators, mathematical functions
and delimiters that can be used to define the formula.
l Independent property area
Select one or more independent properties to be used in the formula.
Any property available in the Property library can be used. However,
the independent property must not depend on the dependent property
being edited.
To add an independent property, make the selection and then click Add.
To modify an existing property, make the desired changes and then click
Update.
o Group
Select the group to which the independent property belongs.
o Property
Select the property and unit. The properties displayed in the
Property drop-down list vary depending on the Group you
select.
o Method
Select the method used to calculate the index property. The
Method drop-down list appears only when the Group is Index.
o Component Group
Select the group to which the GC property belongs. The Com-
ponent Group drop-down list appears only when the Group is
GC Properties.
o Component Name
Select the GC property. The GC properties displayed in the Com-
ponent Name drop-down list vary depending on the Com-
ponent Group you select.

Buttons located at the bottom of the panel:


l Add
Add the independent property to the formula. The property is added to
the Formula field after the cursor.
l Update
Save changes made to the independent property to be used in the for-
mula. The Update button is available when attributes of the independent
property was modified.

Edit User Defined Methods Dialog Box


The Edit User Defined Methods dialog box is used to add or modify the user-
defined method for an index property. This feature allows you to define meth-

5 Assay Management User Interface 89


ods for calculating index property that are not currently supported in the sys-
tem.

To access the Edit User Defined Methods dialog box:

1. From the Assay Management navigation pane, click Library | Property


Library.
2. Right-click any grid in the row of an index property and select Edit
Method from the context menu.

Items in the Edit User Defined Methods dialog box


l Name
Display the Assay Management property name of the selected property.
This field is read-only.
l PIMS Code
Display the three-character PIMS code of the selected property. This
field is read-only.
l Group
Display the group to which the selected property belongs (for example,
Index). This field is read-only.
l Method
Display the name of the selected method. When adding a new method,
enter the new name here and click Add. For an existing method, the
name can be modified.
l Calculated using
Select the method that will be used to calculate the property value:
o Formula
Display the formula used to calculate the property based on the
selected method.
When adding a new method, this field is initially empty and read-
only. Use the Edit Formula panel to defined or edit the formula.
A status message shown next to the Formula field indicates the
validity of the formula. Validation check is performed as the for-
mula is being defined as well as when the OK button is clicked.
The Formula field has four possible statuses:
Not defined - The Formula field is blank.
OK - The entered formula is valid.
Illegal expression - The entered formula is not correct.
Recursive - The formula uses one or more independent prop-
erties that depending on the property being defined.
Edit Formula
Click the up/down arrow to display/hide the Edit Formula panel.
The Edit Formula panel can also be displayed by double-clicking
the Formula field. Expanding the Edit Formula panel also
makes the Formula field editable.

90 5 Assay Management User Interface


o Curve fit to user-input data
Use the user input data to generate a property curve. The curve
will be used subsequently to calculate any requested property
value.

Buttons located at the bottom of the dialog box


l Add
Add the new method name entered in the Method field to the Method
drop-down list.
l Delete
Remove the selected method from the Method drop-down list.
l OK
Confirm the changes to the method. A message prompts you to confirm
the changes.
l Cancel
Exit the Edit User Defined Method dialog box.

Flash Assay Data for Whole Crude Dialog


Box
Purpose
The Flash Assay Data for Whole Crude dialog box is used to enter the
updated (but limited) assay data for the whole crude, and perform char-
acterization.

To access the Flash Assay Data for Whole Crude dialog box:

1. Select the Conventional Results or Molecular Results node of the


desired assay. The Conventional Results form or Molecular Results
form appears in the data browser.
2. Click Flash Assay on the Conventional Results or Molecular Res-
ults form.

Items in the Flash Assay Data for Whole Crude dialog box
l Enter Bulk Values area
Enter the new bulk property values.
o Whole Crude Properties
Lists the whole crude properties. Standard Liquid Density and sul-
fur by weight are listed by default. Units for all properties are the
same as those on the results form from which the Flash Assay
Data for Whole Crude dialog box is activated. For properties
not presented on the results form, units for the selected Unit Sys-
tem are used.

5 Assay Management User Interface 91


Click to add new properties. Right-click a property and select
Remove Property from the context menu to remove the property.
o Old Value
Displays the existing property value, if it is available.
o New Value
Enter the new property value. If you do not have a new value to
enter, leave the field blank or remove the property.
l Curve Type
Select the type of distillation curve from the drop-down list.
l Basis
Select the basis of the distillation yield data, by mass or by volume.
l Units
Displays the temperature unit. The units are the same as those on the
results form from which the Flash Assay Data for Whole Crude dia-
log box is activated. This field is read-only.
l Distillation %
Lists the distillation points.

Click to add new distillation %. Right-click a distillation points and


select Remove Distillation Percent from the context menu to remove
the distillation point.
l Old Temperature
Displays the existing temperature, if it is available.
l New Temperature
Enter the updated temperature. The new temperature can be left blank,
if there is no data. Or you can remove the distillation point. At least four
new distillation points must be entered.

Buttons located at the bottom of the dialog box


l Re-characterize
Start flash assay characterization. The Conventional Results or
Molecular Results form displays the new results.
l Cancel
Exit the Flash Assay Data for Whole Crude dialog box without sav-
ing any entered data. A warning message prompts you to confirm the
cancellation.
You will return the Conventional Results or Molecular Results form.

Guide Point Table Dialog Box


The Guide Point Table dialog box opens the Guide Point Table form. Use
the Guide Point Table form to check the basic information of assay input cuts
and guide points (if any) in the Properties plot.

To access the Guide Point Table dialog box:

92 5 Assay Management User Interface


1. Generate a Properties plot in the data browser.
The Format ribbon appears.
2. On the Format ribbon, click Guide Point Table. The Guide Point
Table dialog box appears.

Items in the Guide Point Table dialog box:


The Guide Point Table dialog box opens the Guide Point Table form. The
Guide Point Table form includes the following:

l Cut
The names of all the product cuts defined on the Assay Input Sum-
mary form. This field is read-only.
l Lower Temperature
Display the initial cut point of each product cut. This field is read-only.
l Upper Temperature
Display the Final cut point of each product cut. This field is read-only.
l Temperature
The X coordinate value of a guide point. This field can be edited by
double-clicking the cell.
l Property Value
The Y coordinate value of a guide point. This field can be edited by
double-clicking the cell.
l Calculated
Display the characterized property value.
l Include
Indicates whether or not the guide point is active.

Import Assay Data from Files Dialog Box


The Import Assay Data from Files dialog box is used to select and import
assay data that was previously created or saved to ASCII format files into
Assay Management. The imported data will appear as assay objects in the cur-
rent case.

To access the Import Assay Data from Files dialog box:

l On the Assay Management ribbon, select New Assays | Import


from File in the Assay group. The Import Assay Data from Files
dialog box appears.

Items in the Import Assay Data from Files dialog box


l Assay data format
Select the format of the assay files. Assay Management can import
assay files in AspenTech format as well as other formats.
l Assay files
List the assay files you selected to import into Assay Management.

5 Assay Management User Interface 93


Only one format can be selected in a given import session. If you select
another format after adding files from a previous format selection, the
Assay files list will be cleared.

Buttons located at the bottom of the dialog box


l

Open the Open dialog box to select the desired assay files and add them
to the Assay files list. More than one file can be selected. Be sure to
select files with the correct format.
l

Remove the selected assay files from the list.


To do this, select the file you want to remove and then click . More
than one file can be removed at one time.
l Import
Start to import the selected assay files into Assay Management.
l Cancel
Exit the Import Assay Data from Files dialog box without importing any
files.

Migrate Custom Library Dialog Box


Purpose
Use the Migrate Custom Library dialog box to migrate and copy the cus-
tomized library from previous Assay Management.

To access the Migrate Custom Library dialog box:

l When opening Assay Management and no current customized library is


available, the Migrate Custom Library dialog box displays auto-
matically.
Alternatively,

1. From the Assay Management navigation pane, select the Libraries tab.
2. Expand the Libraries Tree and click the Assay Library node.
3. Click Migrate.

Items in the Migrate Custom Library dialog box:

l Library Name
The name of the customized library.
l Migrate
Select the Library you want to copy and migrate in the
Migrate check box.

94 5 Assay Management User Interface


l Version
From the drop-down list, select the library version number
you want to migrate.

Buttons located at the bottom of the dialog box

l OK
Confirm and migrate the selected customized library.
l Cancel
Revert the changes and exit the Migrate Custom Library
dialog box.

Modify Temperature Dialog Box


Use the Modify Temperature dialog box to define a series of temperature for
viscosity calculations. Every temperature specified in the Modify Tem-
perature dialog box displays as a separate line in the plot.

Note: The Modify Temperature dialog box is only available to the Viscosities plot.

To access the Modify Temperature dialog box:

1. Generate a Viscosities plot in the data browser.


The Format ribbon appears.
2. On the Format ribbon, Click Modify Temperature. The Modify Tem-
perature dialog box appears.

Items in the Modify Temperature dialog box:


l Temperature
Specify the temperature at which the viscosity is measured and the unit
of the temperature. You can specify more than one temperature.

Buttons located at the bottom of the dialog box:


l OK
Confirm and update the curves and legends in the plot accordingly.
l Cancel
Revert the changes and exit the Modify Temperature dialog box.

New Assay Dialog Box


Use the New Assay dialog box to specify the assay name for a manually added
new assay.

To access the New Assay dialog box:

l On the Assay Management ribbon, click the New Assay label, and
then select Manually Enter from the sub-menu.

5 Assay Management User Interface 95


Or
l Right-click the Petroleum Assays node and select Add New Assay
from the context menu.

Items in the New Assay dialog box:


l Name
Enter the assay name for the new assay.
l Fluid Package
Select the fluid package for the new assay. Select the Create New
option to create a default component list and attach the Peng-Robinson
fluid package to the component list to use for the assay.

Buttons located at the bottom of the dialog box:


l OK
Confirm the name of the new assay and create an assay sub-node for the
new assay under the Petroleum Assays node in the Case View.

Multi Cut Properties


On the New Assay dialog box, if you selected Multi Cut Properties, follow
the steps below:

1. Specify the number of cuts in the Number of Cuts field. The number of
rows in the table at the bottom of the window changes according to the
number you have specified.
2. Enter the cut range values in the table.
3. Click OK.

Single Stream Properties


On the New Assay dialog box, if you selected Single Stream Properties, fol-
low the steps below:

1. Select the Single Stream Properties option. The table at the bottom
of the window changes to allow you to enter distillation yields and tem-
peratures. The default number of distillation points is 9, but you can
adjust the distillation % and the temperature ranges.
2. If necessary, click to add a new cut.
3. In the Curve type row, specify the method used for distillation: TBP,
D86, D2887 or D1160.
4. Specify the Basis: By mass or By volume.
5. Enter the distillation data and property data in the table.
6. Click OK.

Back Blending

96 5 Assay Management User Interface


On the New Assay dialog box, if you selected Backblending, the Backblend-
ing Input Form appears on the navigation pane instead of the Input Assay
Form. The Light Streams tab of the Backblending input form opens in the
data browser.

New Property Dialog Box


The New Property dialog box is used to add a new property to the Property lib-
rary. The property is calculated using the formula that you define.

The formula can be made up of numbers (0-9), operators (+-/*), delimiters


(open and close brackets), mathematical functions and other properties. The
other properties refer to independent properties which can be any property in
the Property library, including a user-defined property. To avoid recursion,
the only limitation to the independent property is that the independent property
cannot itself be a function of the current property.

The supported math functions include square root (sqrt), absolute (abs), nat-
ural log (ln), log base 10 (lg) and exponential (exp and ^).

To access the New Property dialog box:

l The New Property button on the Library group of the Assay Man-
agement ribbon.
1. From the Assay Management navigation pane, select the Librar-
ies tab.
2. Select the Property Library node.
3. On the Assay Management ribbon:
o Click the New icon (graphic at top)
Or
o Click New | Property

Items in the New Property dialog box


l Name
Enter a unique name for the new property. This field must be specified.
l PIMS Code
Enter a three-character unique identifier for the property to be used in
PIMS. This field must be specified.
l Group
Select the group to which the property belongs. User Defined is the
default group.
Assigning group allows the property to be categorized. If you need to
define more than one method of calculation for the property, the Index
group should be selected.
l Method
Assign a unique name to the method. This field is required when the
group is Index.

5 Assay Management User Interface 97


l Formula
Enter the formula to be used to calculate the new property. This field
must be specified. The Formula field is initially empty and read-only.
Use the Edit Formula panel to define the formula. A status message
shown next to the Formula field indicates the validity of the formula.
Validation check is performed as the formula is being defined as well as
when OK button is clicked.
The Formula field has three possible statuses:
o Not defined - The Formula field is blank.
o OK - The entered formula is valid.
o Illegal expression - The entered formula is not correct.
l Edit Formula
Click the up/down arrow to display/hide the Edit Formula panel. The
Edit Formula panel can also be displayed by double-clicking the for-
mula field. Expanding the Edit Formula panel also makes the Formula
field editable.
l Unit type
Select the unit type for the property. The default unit type is Unitless.
l Units
Select the unit of measurement. This field is available when a valid unit
type other than Unitless is selected. The units displayed in the Units
drop-down list vary depending on the Unit type.
l Apply to
Define the usage scope and applicability of the property.
o Whole crude - Apply to the whole crude.
o Fixed range - Apply to a certain temperature range.
l Min. Temp.
Specify the minimum temperature of the temperature range to which the
property applies.
This field is active when the Apply to field is set to Fixed Range.
l Max. Temp.
Specify the maximum temperature of the temperature range to which
the property applies.
This field is active when the Apply to field is set to Fixed Range.
l Min. value
Specify the minimum value of the property and the unit value. The unit
drop-down list appears when you select a unit type other than Unitless
or SG in the Unit Type field.
l Max. value
Specify the maximum value of the property and the unit of the value.
The unit drop-down list appears when you select unit type other than
Unitless or SG in the Unit Type field.
l Output format
Specify how the results should be displayed, General or Scientific.

98 5 Assay Management User Interface


l Output precision
Specify the number of decimal points for the property value displayed in
the results.

Buttons located at the bottom of the dialog box


l OK
Confirm adding the property to the library. The OK button is active only
when the New Property dialog box is property specified.
l Cancel
Revert the changes and exit the New Property dialog box.

Options Dialog Box


Use the Options dialog box to specify application settings.

To access the Options dialog box:

l From the Assay Management main window, click File | Options.

Items in the Options dialog box


l Units of measure
Change the default unit system to be used in Assay Management.
l Sample
Display the units of measure used for each property throughout Assay
Management depending on the default unit system selected. This table is
read-only.

Buttons located at the bottom of the dialog box


l OK
Accept the change to the units of measure.
l Button name
Exit the Options dialog box without saving the changes.

Property Details Dialog Box


Use the Property Details dialog box to edit the property attributes.

To access the Property Details dialog box:

1. From the Assay Management navigation pane, select the Libraries tab.
2. Click the Property Manager node to open the Property Manager
form in the data browser.
3. On the Property Manager form, double-click a property.

5 Assay Management User Interface 99


Items in the Property Details dialog box:
l Name
Display the name of a property. The Name field is read-only.
l PIMS Code
Specify a unique three-character identifier for the property to use in
PIMS.
l Group
Display the property group to which the property belongs. The Group
field is read-only.
l Unit Type
Display the unit type for the property.
l Units
Select a unit for the property.
l Method
Select estimation or calculation method for index property, such as
CloudPointIndex or FreezePointIndex.
l Min. value
Specify the minimum value of the property and the unit of the value.
l Max value
Specify the maximum value of the property and the unit of the value.
l Gradient
Specify the expected slope of the property as a function of cut point tem-
perature.
For example, if the gradient is increasing, the property is expected to
increase as the boiling point of the cut increases. This information is
used in performing validation of assay data input.
l Apply to
Define the usage scope and applicability of the property.
o Whole crude - apply to the whole crude.
o Fixed range - apply to a certain temperature range.
l Min. Temp.
Specify the minimum temperature of the temperature range to which the
property attributes applies to.
This field is active when the Apply to field is set to Fixed range.
l Max. Temp.
Specify the maximum temperature of the temperature range to which
the property attributes applies to.
This field is active when the Apply to field is set to Fixed range.
l Output format
Specify how the result should be displayed.
o General
o Scientific
l Output precision
Specify the number of decimal points for the property value displayed in

100 5 Assay Management User Interface


the results.
l Extrapolate below Method
Specify method used to extrapolate the property below the minimum
temperature. When the method selected is Fixed, the fixed value must
be specified.
l Extrapolate above Method
Specify method used to extrapolate the property above the maximum
temperature. When the method selected is Fixed, the fixed value must
be specified.
l Statistical parameters
Specify the parameters used for the statistical method.
o Alpha
o Beta
l Update All Assays
Specify if changes made in the Property Details dialog box should be
applied to all the existing assays in the case.

Buttons located at the bottom of the dialog box:


l OK
Confirm your changes to the property attributes, and exit the Property
Details dialog box.
l Cancel
Revert the changes to the property attributes, and exit the Property
Details dialog box.
l Reset
Revert any changes made, and set all attributes to default settings as
delivered with the product.

Property Pop-up Window


Select and specify a property using a pop-up window. The Property pop-up win-
dow is available from:

l Details tab of the Assay Properties Summary form


l Input Summary tab of the Input Assay form
l Result Summary tab of the Conventional Results/Molecular Res-
ults form
l Property Map tab of the Cut Crudes form
l Property Map tab of the PIMS to Assay Management Mapping dia-
log box
To access the Property pop-up window:

l On one of the above mentioned forms, double-click a property cell, the


Property pop-up window appears.

5 Assay Management User Interface 101


Items in the Property pop-up window:
l Group
Select the group to which the desired property belongs.
By default, all the available property groups appear in the drop-down list
in alphabetic order. You can enter key letters to narrow down the group
options displayed. For example, if you enter "fla," only property group
names beginning with "fla" will appear in the drop-down list. The letters
you enter are not case sensitive.
Clearing the specified letters displays all the property groups in the
drop-down list.
Note: For the Index group on the Input Assay form and the BackBlending
Input form, Refractive Index (RefractIdx) and Cetane Index (CetaneIndex)
are the only options for the Property drop-down list. Other index properties are
not meaningful experimental input data for an assay and are therefore excluded.
l Property
Select the desired property. The properties displayed in the drop-down
list vary depending on the group you select in the Group drop-down list.
If All is selected in the Group drop-down list, all the available prop-
erties will be displayed in the Property drop-down list.
For properties with units, an extra drop-down list appears beside the
Property drop-down list for you to select the unit of measurement.
l Method
Select the method used to calculate the selected index. The Method
drop-down list appears only when the Group is Index.
You can select to calculate the same index property using different meth-
ods on the Conventional Results/Molecular Results form.
l Lead Content
Enter a lead content value for RONLead, DONLead and MONLead.

Buttons located at the upper right Property pop-up win-


dow:
l

Confirm to display the selected property on the form.


l

Cancel your selection and close the Property pop-up window.


l

Launch the online help topic for the selected property in the Property
pop-up window.

Regression Specification Pop-up Window


Use this dialog to specify the lower and upper bounds of a parameter.

To access the Regression Specification pop-up window:

102 5 Assay Management User Interface


1. On the Molecular Methods form, click the Parameters tab.
2. Select the Enable regression check box on the Parameters tab.
3. Double click the parameter you want to edit. The Regression Spe-
cification pop-up window appears.

Items in the Regression Specification pop-up window:


l Lower Bound
Specify the lower bound for the parameter to be used in the data regres-
sion.
l Upper Bound
Specify the upper bound for the parameter to be used in the data regres-
sion.

Buttons located at the upper right of the Regression Spe-


cification pop-up window:
l

Confirm the settings and return to the Parameters tab.


l

Revert any settings and exit the Regression Specification pop-up win-
dow.

Run Regression Dialog Box


Use the Run Regression dialog box to select the desired assays on which to
run data regression when executing the data regression from the Petroleum
Assays node.

To access the Run Regression dialog box:

l Right-click the Petroleum Assays node and select Run Regression


from the context menu.

Items in the Run Regression dialog box


l Display
Filter to display only the assays in the selected region.
l Assays grid
List the assays available for data regression. Only assays with a com-
plete Molecular Methods form with regression enabled appear on the
form.
Each assay displays the following information:
o Assay - the name of the assay.
o Status - the status of characterization.
o Properties - key properties of the assay, including Standard
Liquid Density, Sulfur by Weight, Kinematic Viscosity and
Watson K.

5 Assay Management User Interface 103


Buttons located at the bottom of the dialog box
l OK
Run the data regression for each selected assay, one at a time. To select
an assay, select the row in the grid. Use the Ctrl or Shift key on the key-
board to make multiple selections.
l Cancel
Revert the selection and exit the Run Regression dialog box.

Search Profile Dialog Box


Use the Search Profile dialog box to filter and select a proper profile from the
built-in profile library.

To access the Search Profile dialog box:

1. On the Molecular Methods form, click the Parameters tab.


2. Click Select profile | Aspen Assay Library or Select profile | User
Library from the sub-menu. The Search Profile dialog box appears.

Items in the Search Profile dialog box


l Search Criteria area
Enter one or several search criteria to display the profiles that meet the
criteria in the Select a profile area. In this way, you can narrow down
the possible options.
o Profile name
Enter a full profile name or part of the name.
o Region
Select a region to which the crude oil belongs.
o Country
Select a country to which the crude oil belongs. The countries dis-
played in the drop-down list vary depending on the Region you
select.
If no region is selected, all the available countries are shown in
the Country drop-down list.
o Oil
Enter full or part of an oil name.
o Field
Enter full or part of a field name.
o Properties
Specify the minimum value, maximum value and unit of certain
properties as search criteria. The properties used as search cri-
teria are StdLiquidDensity, SulfurByWt,
KinematicViscosity, TAN (Total Acid Number) and PourPoint.
l Select a profile area
Display profiles that meet the criteria specified. You can select a profile
to use from this list.

104 5 Assay Management User Interface


Buttons located at the bottom of the dialog box
l Clear
Remove all search criteria.
l Help
Launch the Search Profile Dialog Box topic in the online help.
l Use selected profile
Use the selected profile for the given assay. Display the profile para-
meters on the Parameters tab and exit the Search Profile dialog box.
l Cancel
Exit the Search Profile dialog box without selecting any profiles.

Select Assay Dialog Box


Use the Select Assay dialog box to select the assays displayed in the plot.

Note: Only assays which have been added in the Properties environment are available
for selection.

To access the Select Assay dialog box:

1. Generate a desired plot in the data browser.


The Format ribbon appears.
2. On the Format ribbon, click Select Assay. The Select Assay dialog
box appears.

Items in the Select Assay dialog box:


l Characterized Assay
The available assays you can display in the plot.
l Include
Select the check box to display the associated assay in the plot.

Buttons located at the bottom of the dialog box:


l OK
Confirm to display the selected assays in the plot.
l Cancel
Revert the changes and exit the Select Assay dialog box.

Select Class Dialog Box


Use the Select Class dialog box to choose the classes displayed in the
Molecule Distribution plot.

To access the Select Class dialog box:

1. Generate a Molecule Distribution plot in the data browser.


The Format ribbon appears.

5 Assay Management User Interface 105


2. On the Format ribbon, click Select Class, the Select Class dialog box
appears.

Items in the Select Class dialog box


l

Select to display the class in the plot.


l Class name
List the name of each class for the crude assay.

Buttons located at the bottom of the dialog box


l OK
Confirm to display the select class in the Molecule Distribution plot.
l Cancel
Revert any changes and exit the Select Class dialog box.

Select Property Dialog Box


Use the Select Property dialog box to select the property to display on the Y
axis.

To access the Select Property dialog box:

1. Generate a desired plot in the data browser.


The Format ribbon appears.
2. On the Format ribbon, click Select Property. The Select Property
dialog box appears.

106 5 Assay Management User Interface


Items in the Select Property dialog box:
l Y1 field
Select the property displayed on the Y axis.
o Group
Select the property group to which the desired property belongs.
o Property
Select the property to display on the Y axis, as well as the prop-
erty unit.
The properties in the Property drop-down list vary depending on
the property group you select in the Group drop-down list.
o Parameter
Select the parameter of the desired property, as well as the para-
meter unit.
The Parameter drop-down list is activated only when a para-
meter is required for the property selected in the Property drop-
down list. The parameters in the Parameter drop-down list vary
depending on the property selected.
l Y2 field
The Y2 field is used to define a second Y axis on the right side of the
plot. This field is only available for the Properties plot.
Select the check box to activate the Y2 field, and then select the Group,
Property, and Parameter (if required) from the drop-down list.

Buttons located at the bottom of the dialog box:


l OK
Confirm to display the property on the Y axis.
l Cancel
Revert the changes and exit the Select Property dialog box.

Temperature Range Dialog Box


Use the Temperature Range dialog box to define a temperature range used
to calculate the viscosity of various defined cuts of the selected assays. The spe-
cified temperature range will also define the range of the X axis.

Note: The Temperature Range dialog box is only available to the Cut Viscosities plot.

To access the Temperature Range dialog box:

1. Generate a Cut Viscosities plot in the data browser.


The Format ribbon appears.
2. On the Format ribbon, click Modify Temperatures. The Tem-
perature Range dialog box appears.

5 Assay Management User Interface 107


Items in the Temperature Range dialog box:
l Min
Enter the minimum temperature and its unit.
l Max
Enter the maximum temperature and its unit.
The units for the minimum and maximum temperatures remain synchronized.

Buttons located at the bottom of the dialog box:


l OK
Confirm to use the specified temperature range in the calculations of vis-
cosity for the plot.
l Cancel
Revert the changes and exit the Temperature Range dialog box.

Context Menu Options


When you right-click different places on the Assay Management main win-
dow, the context menu opens with different menu options based on where you
are on the window. In Assay Management, you can open a context menu
from the following places:

l Tabs in the data browser


l Forms in the data browser
l Plots generated in the data browser

Tabs
The context menu opened by right-clicking any data browser tab has the fol-
lowing options:

l Close
Close the selected tab.
l Close Other Tabs
Close other open tabs in the data browser.
l Floating
Display the selected tab in a separate window.
l Tabbed
Display the selected window as a tab in the data browser.
l Dockable
This option is only available for the new tabs opened by clicking .
l New Horizontal Tab Group
Display the selected tab in a new tab group horizontal to the existing tab
group.
l New Vertical Tab Group
Display the selected tab in a new tab group vertical to the existing tab

108 5 Assay Management User Interface


group.
l Move to Previous Tab Group
Display the selected tab in the previous tab group.
This option is only available when multiple tab groups are open in the
data browser. If the selected tab is the only tab in the current tab group,
the current tab group will be closed after moving the tab to the previous
tab group.
l Move to Next Tab Group
Display the tab in the next tab group.
This option is only available when multiple tab groups are open in the
data browser. If the selected tab is the only tab in the current tab group,
the current group closes after moving the tab to the next tab group.

Forms
The context menu options vary depending on the form you open. The options
available to all the forms include the following:

l Select Column
Select the entire column.
l Sort
Display data in a certain sequence.
o Sort Ascending: Sort the selected column values from low to
high.
o Sort Descending: Sort the selected column values from high to
low.
o Remove Sorting: Revert the display sequence to the original
status.
o Clear Sorting: Clear the sort state for the current range of data.
l Freeze
Keep part of the form visible while the rest of the form scrolls.
o Freeze Column: Keep certain columns visible while the rest of
the form scrolls.
o Unfreeze Column: Unlock the columns to scroll through the
entire form.
l Choose Columns
Select which columns of data to display and hide.
l Filter
Filter to display data based on given criteria.
Note: The filter function is not available to the forms Input Assay, Con-
ventional Results/Molecular Results, Blend and Cut Crudes.
o Show Filter Record: Display the filter text box with a Starts
with button on its left. The text box will appear below the column
header.

5 Assay Management User Interface 109


o Hide Filter Record: Hide the filter text box and the Starts
with button.
o Clear All Filters: Delete all the filter specifications and revert
back to the original display state.
l Copy
Copy the text/information in the selected cell.
l Cut
Remove the text/information from the selected cell.
l Paste
Paste the copied or cut text/information to the selected cell.
Some context menu options are only available to certain forms:

l Petroleum Assays form


The following menu options are available when you right-click on the Pet-
roleum Assays form:
o Add Cut Property
Select extra properties to display.
o Edit Cut Property
Modify the selected property information.
o Remove Cut Property
Remove the selected property.
o Display Assay Description
Insert new columns to display assay descriptions such as name,
region, etc.
o Delete Assay(s)
Remove the selected assay from the Petroleum Assays form
and the case. You have to right-click an assay row header to
show this option.
o Send to Assay Library
Send the selected assay to the custom assay library. You have to
right-click an assay row header to show this option.
l Assay Properties Summary form
The Remove Property option is available when you right-click any-
where on the Details tab. The Remove Property option is used to
remove the entire row of a property.
l Input Assay and Conventional Results/Molecular Results form
The following menu options are available when you right-click on the
Input or Conventional Results/Molecular Results form:
o Remove Cut
Remove the entire column of the selected cut.
o Remove Property
Remove the entire row of the selected property.
o Remove Component
Remove the entire row of the selected component.

110 5 Assay Management User Interface


o Insert Distillation Percent
Insert a row to enter new distillation percent and detailed data.
o Remove Distillation Percent
Remove the entire row of the selected distillation percent.
The menu options vary depending on which tab you select.

Plots
The context menu opened by right-clicking in a plot has the following options:

l Copy Plot
Copy the plot. You can paste the plot to other applications such as
Microsoft Excel.
l Print Plot
Print the plot to a printer.
l Delete Guide Point
Remove the selected guide point from the plot. This option displays only
when right-clicking a guide point.
l Reset Zoom
Reset the zoom scale to 100%.

5 Assay Management User Interface 111


112 5 Assay Management User Interface
6 Characterizing Assays

Characterization refers to the process in which limited input assay data is used
in conjunction with estimation methods and other mathematical techniques to
generate a “model” of the assay. The model allows properties to be calculated
outside of the range of the available data to satisfy the needs of the planning
model. It also allows assay data to be recut at any cut points required by
HYSYS. Finally, the characterization process also estimates or calculates a num-
ber of properties that were not present in the input assay by using correlations
(for example, API correlation) that depend on other known properties.

You can characterize the assays after they have been created and populated
with assay data. Assay Management provides two characterization methods,
conventional characterization and molecular characterization. The conventional
or traditional characterization method is the default characterization method.
The molecular characterization must be enabled before use.

For conventional characterization, each assay node contains the Input Assay
and Conventional Results sub-nodes. For molecular characterization, each
assay node contains the Input Assay, Molecular Methods and Molecular
Results sub-nodes.

Characterization can be performed in the following ways:

l Click the Characterize button on the Home Assay Management rib-


bon.
l Right-click an assay node and select a characterization option from the
context menu.
l Right-click the Assays Summary node and select a characterization
option from the context menu.
l Right-click an Input Assay node and select a characterization option
from the context menu.
Characterization results will be shown on the Conventional Res-
ults/Molecular Results form. You may be able to improve the char-
acterization results if you are not satisfied with them.

6 Characterizing Assays 113


Assays in the built-in libraries contain fully characterized data. You can use an
assay from the built-in assay libraries as a starting point, update the assay data
using more recent data and re-characterize the assay.

Notes:
l
Re-characterizing assays from the built-in assay libraries is allowed but not recom-
mended. If you do so, the characterization results can be somewhat different
because the original assay data is not used.
l
A memory over 4 GB is recommended in case you need to characterize a large num-
ber of assays simultaneously.

Conventional Characterization
The conventional or traditional characterization method uses a number of tech-
niques to create a model of the assay from the input laboratory assay data. The
following general methodology is used:

l A model of the assay is represented by a large number of micro cuts.


These micro cuts span the entire boiling range of the assay, from IBP to
FBP. Each micro cut covers a narrow boiling range (for example, 25 °C).
Yield and all pertinent properties, such as centroid boiling point, specific
gravity, sulfur content, RON, and CCR, are assigned to each micro cut
during characterization.
l Cut yields data is used to generate distillation curve (TBP). At least three
non-overlapping cuts with more than 50% of total yield must be
provided. If distillation curve data (TBP) is also entered, it is used
instead of cut yield data. This input data is used to generate the entire
distillation curve from IBP to FBP, from which the yield and centroid boil-
ing point temperature can be determined for each micro cut.
l Property data is curve fitted and values assigned to the micro cuts such
that the input values are matched as closely as possible.
l Certain properties, such as cold properties, are considered together dur-
ing characterization to ensure that they are consistent.
l GC data is also distributed among the micro cuts such that the input com-
position of each component in the Naphtha cuts is matched as closely as
possible. Since pure components heavier than n-Pentane can distribute
over multiple Naphtha cuts, the match may not be perfect. Assay Man-
agement does not consider components lighter than n-Pentane in any
cuts, except the whole crude and the light-end cut.

Performing Characterization
If an assay is not characterized (Input Only status) or the assay data on the
Input Assay form were edited (Input Change status), the Characterize but-
ton on the Assay Management ribbon is enabled.

114 6 Characterizing Assays


Characterization Options: Match Assay Cut or Whole Crude
Properties
You can set the default conventional characterization to match properties for
each assay cut, or to match properties of the whole crude. Matching the whole
crude is the preferred default method. Use the pull down arrow under the Char-
acterize icon to select the method.

Molecular Method

Note: When using the molecular characterization, the Characterization button is not
activated until a molecular profile is selected.

When switching between the conventional and molecular characterization, the


characterization results of the former method are always valid if no changes
are made on the Input Assay form or no re-characterization is executed using
the other method. For example, when you enable the molecular char-
acterization, do nothing and then switch back to conventional characterization,
the conventional characterization results are still valid and will be displayed.
The Characterization button will also be disabled.

You can perform the characterization from:

l The Assay Management navigation pane


l Petroleum Assays form
Or
l The Input Assay form

Characterizing Assays from the Navigation


Pane
You can characterize one or several assays at a time.

To characterize an assay from the navigation pane:

1. Select the assay you want to characterize:


o Click Characterize | Match Assay Cut Properties or Char-
acterize | Match Whole Crude Properties on the Assay
Management ribbon. If Molecular Characterization is
enabled, simply click Characterize.
Or
o Right-click the assay sub-node and select Match Assay Cut
Properties or Match Whole Crude Properties from the con-
text menu for conventional characterization, or select Char-
acterize Assay from the context menu for molecular
characterization.

6 Characterizing Assays 115


The characterization will start. A progress bar appears to show the com-
pletion percentage of the characterization.
A Stop button is available to abort the characterization. If the Stop but-
ton is clicked, Assay Management will finish processing the assay that is
being characterized, but will leave the remaining assays unchar-
acterized.
If the molecular characterization is not enabled, Assay Management will char-
acterize the assays using conventional methods. Otherwise, Assay Management
uses molecular methods to perform the characterization.

Note: If you have incomplete pure component input with the unit Mole%, a warning
message will appear, prompting you to complete the input data before characterization.

For conventional characterization, the default behavior is to characterize the


assays by matching cut properties as closely as possible. If you choose Match
Whole Crude Properties, Assay Management will characterize assays by
focusing on matching whole crude properties.

When the characterization finishes, a Conventional Results or Molecular


Results node, depending on the method used for assay characterization, will
appear under the assay sub-node for each characterized assay. And the status
of characterized assays becomes Characterized Successfully on the Pet-
roleum Assays form.

Save the characterization results by clicking on the toolbar.

Characterizing Assays from the Petroleum


Assays Form
To characterize assays from the Petroleum Assays form:

1. Click the Petroleum Assays node to open the Petroleum Assays


form in the data browser.

2. On the Petroleum Assays form, click to select the row of the assay
you want to characterize.
Press Ctrl or Shift on the key board to select multiple assays.
3. On the Assay Management ribbon:
o Click Characterize | Match Assay Cut Properties or Char-
acterize | Match Whole Crude Properties for the con-
ventional characterization.
o Click Characterize for the molecular characterization.
Alternatively, right-click the Petroleum Assays node:
o If all the selected assays are using the conventional method,
select Match Assay Cut Properties or Match Whole Crude
Properties from the context menu.

116 6 Characterizing Assays


o If all the selected assays are using the molecular method, select
Characterize Assay from the context menu.
o If the selected assays are using different characterization meth-
ods, select Match Assay Cut Properties or Match Whole
Crude Properties from the context menu.
The characterization will start. A progress bar appears to show the com-
pletion percentage of the characterization.
A Stop button is available to abort the characterization. If the Stop but-
ton is clicked, Assay Management will finish processing the assay that is
being characterized, but will leave the remaining assays unchar-
acterized.
Notes:
o
If you have incomplete pure component input with the unit Mole%, a warn-
ing message will appear, prompting you to complete the input data before
characterization.
o
If more than four assays in the Petroleum Assays form are selected to be
characterized, a message will prompt you to confirm the characterization.

For conventional characterization, the default behavior is to characterize the


assays by matching cut properties as closely as possible. If you choose Match
Whole Crude Properties, Assay Management characterizes assays by focus-
ing on matching whole crude properties.

When the characterization finishes, a Conventional Results or Molecular


Results node, depending on the method used for assay characterization, will
appear under the assay sub-node for each characterized assay; the status of
characterized assays becomes Characterized Successfully on the Pet-
roleum Assays form.

You can save the characterization results by clicking on the tool bar.

Characterizing Assays from the Input Assay


Form
Before you start
Ensure the assay data entered is valid. Otherwise, the Characterize Assay
button will be inactive.

To characterize assays from the Input Assay form:

1. Click the Input Assay sub-node of the assay that you want to char-
acterize.
The Input Assay form opens in the data browser.
2. At the bottom of the Input Assay form:
o Click Characterize Assay | Match Assay Cut Properties or
Characterize Assay | Match Whole Crude Properties for

6 Characterizing Assays 117


conventional characterization.
o Click Characterize Assay | Characterize for molecular char-
acterization.
A progress bar appears to show the completion percentage of the char-
acterization after the characterization starts.

Characterizing Assays with the Molecular


Method
You can characterize an assay using the molecular method when the inputs on
the Molecular Methods form are complete. Characterization is performed
automatically as part of profile evaluation or optimization. Under the Molecu-
lar Characterization mode, the system estimates the properties supported
by molecular characterization based on the molecule profile parameters, trans-
lates the results to conventional method property reporting system and reports
the translated results on the Molecular Results form.

For the properties molecular characterization does not support, the con-
ventional methods is used to calculate those properties.

The molecular characterization has the following two modes:

l Evaluation
Under the evaluation mode, the system evaluates the selected profile
against the experimental data. By default, all available data is selected
for data evaluation. The results appear on the Residuals and Sum-
maries tab.
You can select, modify and save the parameters profile.
l Regression
Under the regression mode, the system optimizes the profile parameters
to fit the selected properties data that the molecular characterization sup-
ports, and then estimates the property results by the molecular method
based on the final set of parameters obtained in the regression. The
regression results display on the Residuals and Summaries tab.
You can select, modify and save the parameters profile.
Both the property results by evaluation and by regression, shown on the Resid-
uals and Summaries tab, are direct molecular characterization results. Due
to the translation during results reporting, discrepancies may exist between the
evaluation/regression results and the characterization results shown on the
Molecular Results form, using the same set of molecular profile parameters.

On the Molecular Results form, you can click the Flash assay button. The
Flash Assay Data for Whole Crude dialog box appears. When you click the
Characterize button, Molecular Characterization profile regression is per-
formed in order to best match the input flash assay data. The program auto-

118 6 Characterizing Assays


matically selects the parameters that will be regressed. After the regression,
your results will appear on the Molecular Characterization results forms.

Performing Flash Assay Characterization


Purpose
The flash assay characterization is used to create a new assay “model” by using
very limited, but more up-to-date assay data – the so-called “flash assay” data.

Complete assays data for crude oil are very expensive to acquire, but crude
qualities can change frequently. Although it would be ideal to have a current
assay for the coming crude, this is rarely available. More commonly, you may
have some minimal whole crude information. The most common situation is to
have updated gravity, sulfur, and TAN values. In some other situation, a whole
crude distillation curve (for example, TBP) may also be available. The flash
assay characterization function allows you to use these up-to-date data to re-
characterize an existing assay. To enter flash assay data, use the Flash Assay
button on the Conventional Results or Molecular Results form. The dialog
box that appears allows you to enter the available data and perform char-
acterization.

Before You Start


Ensure the assay you want to perform flash assay characterization on has been
characterized.

Performing Flash Assay Characterization
To perform the flash assay characterization:

1. Under the Petroleum Assays folder in the navigation pane, select the


Conventional Results or Molecular Results node of the desired
assay.
2. The Conventional Results form or Molecular Results form appears
in the data browser.
3. Click Flash Assay on the Conventional Results or Molecular Res-
ults form. The Flash Assay Data for Whole Crude dialog box
appears.
4. Enter the required information on the Flash Assay Data for Whole
Crude dialog box.
5. Click Re-characterize. The characterization starts. A progress bar
appears to show the percentage of completion.
When the flash assay characterization is completed successfully, the Con-
ventional Results or Molecular Results form displays the newly obtained
results.

6 Characterizing Assays 119


Improving Characterization Res-
ults
Characterization results may not meet your requirements due to the paucity of
data, or the inadequate estimation or extrapolation method.

You can improve the characterization results in two ways:

l Using guide points


l Changing property methods

Using Guide Points


Use guide points to help guide the correlation such that the predicted property
over the whole assay or a specific product cut behaves as expected.

Before you start


Ensure you have characterized the assays and generated a properties plot. The
properties plot can be generated from the Petroleum Assays form or from an
individual assay.

Note: Guide points are not allowed for distillation data, density and viscosity. In addition,
when C6-aromatic content is changed, the overall aromatic content will not be changed.

To create guide points:

1. On the Format tab, click Add Guide Points.


2. In the plot, Move the pointer to the location where a guide point is
desired.
3. Click the mouse once and a guide point will be created in the plot.
4. Repeat step 1 to step 3 until you create all the guide points in the plot.
Each time you drop a guide point in the plot, Assay Management adjusts the
curve and moves the curve toward the guide point. By dropping a series of
guide points, you can get more accurate characterization results.

Changing Property Methods


You can change the method used to calculate a given property to show the
effect on the characterization results.

Before you start


Ensure you have characterized the assays and generated a properties plot. The
properties plot can be generated from the Petroleum Assays form or from an
individual assay.

To change property methods:

120 6 Characterizing Assays


1. From the Customize ribbon tab, click Assay Property Libraries.
2. The Property Management form opens in the data browser.
3. On the Property Management form, double-click the property for
which you want to change the property method.
The Property Details dialog box appears.
4. In the Property Details dialog box, modify attributes of the property,
such as the Extrapolate Below or Extrapolate Above method.
5. Select the Update All Assays check box. The change of property meth-
ods will affect all the existing assays in the case.
6. Click OK.
Re-characterize the assays after changing the property methods. You can check
the change of characterization results on the Properties plot.

Molecular Characterization
Molecular Characterization uses a set of compounds to represent the species in
crude oils. These compounds are categorized into 13 compound classes, which
are paraffins (P), naphthenes (N), aromatics (A), sulfides (S), mercaptans (M),
naphthenic sulfides (SN), thiophenes (T), carbazoles, quinolines, phenols, par-
affinic acids (PA), naphthenic acids (NA) and aromatic acids (AA). The com-
positions of these compounds in each crude assay are determined by
AspenTech using a patent-pending method. The method uses the available
assay data, such as distillation curve, API gravity, sulfur content, nitrogen con-
tent, and PNA contents, of the whole crude and various product cuts to determ-
ine the compositions of the compounds. This can minimize the errors between
experimental and calculated properties.

Each compound class is characterized by its molecular structural segments, and


segment distribution function parameters. For example, normal paraffins con-
tains two kinds of segments which are methyl (-CH3) and methylene (-CH2-).
For details on the segments and compounds, refer to the Segments and Com-
pounds topic for additional information. The relative weights of the various
classes of the hydrocarbon constituent molecules, the respective structural seg-
ment types, and the segment distribution function parameters together form a
“molecular profile” of the crude oil. The chemical compositions of model hydro-
carbon molecules as derived from the “molecule profile” are then used to inter-
polate, extrapolate, and predict crude oil assays and properties based on
molecular thermodynamic models.

Each assay in the built-in Assay Management assay libraries is associated with
a pre-defined molecular profile, which is optimized to fit the available exper-
imental assay data using the methodology described above. These assays are
therefore, ready to be used. Optionally, you can use your own profile files that
have been developed using the molecular characterization-related forms.
Molecular characterization has the following two options:

6 Characterizing Assays 121


l Evaluation - perform molecular characterization with the current pro-
file.
l Regression - regresses experimental assay data to determine your own
molecular profile.

Fine Tuning
Fine Tune is used together with molecular characterization to further improve
the regressed molecular profiles, providing the best possible match to the three
key assay properties, which are TBP yield curve, API density, and sulfur con-
tent. By using the Fine Tune function, molecular compositions of micro-cuts as
determined from the regressed molecular profiles are adjusted iteratively to
match the three key properties one by one and cut by cut.

Note: The Fine Tune check box is selected by default, but Fine Tune is not recom-
mended for all cases. You can clear the Fine Tune check box if it fails to provide accept-
able results.

Molecular Characterization Methodology


l Polymer PC-SAFT equation of state are utilized to estimate the ther-
mophysical properties. For viscosities, a model based on segment con-
tributions is developed. Interactions between paraffins and naphthenes
or aromatics, and interactions between asphaltenes and the other com-
ponents are considered in the viscosity mixing rule.
l Probability functions are used to describe the distribution of the seg-
ments in the classes so the composition within each compound class is
derived. Together with the weight ratios of the compound classes in the
whole crude, the composition of the whole crude is derived. The whole
crude properties are then calculated from the composition of the whole
crude.
l Distillation cuts are represented by molecular species with boiling points
near cut temperatures. Appropriate distribution factors are assigned to
molecules both inside and outside the cut temperature range to obtain
the composition within the cuts. Properties of the distillation cuts are
then calculated.
To activate Molecular Characterization:

1. Click the assay you want to characterize using Molecular Char-


acterization.
On the Assay Management tab on the ribbon, select Molecular Char-
acterization in the Molecular Methods group.
2. The Molecular Characterization method is enabled. A Molecular
Methods sub-node appears under the selected assay node in the nav-
igation pane. The status of the selected assay changes to Input Only,
which allows you to re-characterize the assay using molecular char-
acterization. The Fine Tune check box appears under the Molecular
Characterization check box in the Molecular Methods group,

122 6 Characterizing Assays


selected by default.
Note: If you select the Molecular Characterization check box, you cannot
select the Advanced Settings button on the Pure Component form.

If you want to characterize multiple assays using a molecular method, you


must select the Molecular Characterization option for each assay.

Note: A warning message appears if the molecular profile for your assay does not provide
acceptable results or if the regression results for the assay are not accurate enough.

The status of the molecular characterization is saved when you save the case.

Molecular Profile Evaluation


When using Molecular Characterization, you must have good parameters to
describe the molecule distribution. The Molecular Characterization feature
allows you to evaluate the current profile against experimental data to judge
the quality of the profile.

The molecular profile evaluation includes the following three steps:

1. Selecting a profile.
2. Modifying profile parameters if necessary.
3. Running an evaluation.
Characterization is performed automatically as part of molecular profile eval-
uation. The characterization results will be displayed on the Result Summary
tab of the Molecular Results form.

Three types of plots specific for molecular methods are available to analyze the
profile evaluation results. The general plot can also be used.

You can save the updated profile.

Selecting a Profile
By default, Assay Management automatically determines an appropriate profile
to use based on the region, country, and oil field, when an assay is selected. If
Assay Management cannot determine a profile in the same region, country, or
oil field for the selected assay, a default profile, Initial Profile.prof, will be
used.

You can also select another profile as needed from the built-in libraries or user
profiles. You can also enter the parameters manually to specify a profile.

Before you start


Ensure the Molecular Characterization is enabled. Refer to the Molecular
Characterization topic on how to enable molecular characterization.

To select a profile:

6 Characterizing Assays 123


1. Click the Molecular Methods sub-node of the desired assay. The
Molecular Methods form appears in the data browser.
2. Click the Parameters tab on the Molecular Methods form.
3. Click Select Profile | User files or Select Profile | Aspen Assay
Library.
If you select Aspen Assay Library:

4. The Search Profile dialog box appears.


5. On the Search Profile dialog box, enter Search Criteria to filter and
find the proper profile.
6. Select the desired profile from the Select a profile field and click Use
selected profile. The selected profile name appears in the Profile
name field on the Parameters tab and the profile parameters will display
in the tables on the Parameters tab.
If you select User files:

7. The Open dialog box appears.


8. Select the desired profile file (.prof file) and click Open.
The selected profile name will appear in the Profile name field on the
Parameters tab and the profile parameters will display in the tables on
the Parameters tab.

Modifying Profile Parameters


You can modify the values of the profile parameters to reflect more recent
updated assay data.

Before you start


A profile must already be selected and displayed on the Parameters tab.

To modify the profile parameters:

1. On the Molecular Methods form, click the Parameters tab.


2. On the Parameters tab, double-click the editable grid and enter the
new value.
If the value you entered violates any limitations, warning messages will
be displayed and the system will reject the new value.
The following parameters are editable on the Parameters tab:

l Molecular Specification table


o Wt(%)
o β
o α

124 6 Characterizing Assays


Notes:
o
β and α are required for Gamma functions. These two parameters
are not editable when Uniform is selected as the function.
o
For Mole Fraction of 6CR in class Naphthenes (N) and Naph-
thenic Sulfides (SN), only β is required.
o
For the Asphaltene factor in the Aromatics class, only β is required.
l Viscosity table
o k0
o k1
o k2
o k3

Running an Evaluation
You can evaluate the profile against the available experimental data.

To run an evaluation:

1. On the Molecular Methods form, click the Parameters tab.


2. On the Parameters tab, select a profile and modify the profile para-
meters as required.
3. On the Data Setup tab, select the data used for evaluation.
4. Click Run evaluation. The evaluation begins. The Aspen Assay Man-
agement dialog box appears, displaying the progress messages.
The evaluation is executed according to the following rules:

l All parameters are editable in the Evaluation mode.


l When a profile from another assay is selected, all parameters are set
exactly the same as in the profile no matter whether the current assay
has the related property input data or not.
l The values you enter for evaluation are not saved. If you change the
mode and turn back to Evaluation, you must reset the values.
When the evaluation is complete, the results display on the Residuals and
Summaries tab. The icon appears next to the tab name for a successful
evaluation. Except for the Residuals sum of squares, the other items in the
Summary field are unavailable. In addition, the data on the Parameters tab
will be updated by the evaluation.

Characterization is performed automatically as part of the evaluation. The res-


ults will be displayed on the Results Summary tab of the Molecular Results
form.

Molecular Profile Optimization

6 Characterizing Assays 125


When using Molecular Characterization, you must have good parameters to
describe the molecule distribution. Optimizing the profile using experimental
data ensures that you obtain the best characterization results. The optimized
profile can be saved and used in subsequent runs.

The molecular profile optimization feature allows you to update the profile to a
crude to reflect recently updated assay data as well as to determine the profile
for a new assay.

The molecular profile optimization includes the following steps:

1. Selecting a profile.
2. Modifying profile parameters if necessary.
3. Selecting parameters for regression and experimental data to be fitted.
4. Running data regression.
Characterization is performed automatically with the optimized profile. The
characterization results will be displayed on the Results Summary tab of the
Molecular Results form.

Three types of plots specific for molecular method are available for you to ana-
lyze the profile optimization results. The general plots can also be used.

You can save the updated profile.

Selecting a Profile
By default, Assay Management automatically determines an appropriate profile
to use based on the region, country, and oil field, when an assay is selected. If
Assay Management cannot determine a profile in the same region, country, or
oil field for the selected assay, a default profile, Initial Profile.prof, will be
used.

You can also select another profile as needed from the built-in libraries or user
profiles. You can also enter the parameters manually to specify a profile.

Before you start


Ensure the Molecular Characterization is enabled. Refer to the Molecular
Characterization topic on how to enable molecular characterization.

To select a profile:

1. Click the Molecular Methods sub-node of the desired assay. The


Molecular Methods form appears in the data browser.
2. Click the Parameters tab on the Molecular Methods form.
3. Click Select Profile | User files or Select Profile | Aspen Assay
Library.
If you select Aspen Assay Library:

126 6 Characterizing Assays


4. The Search Profile dialog box appears.
5. On the Search Profile dialog box, enter Search Criteria to filter and
find the proper profile.
6. Select the desired profile from the Select a profile field and click Use
selected profile. The selected profile name appears in the Profile
name field on the Parameters tab and the profile parameters will display
in the tables on the Parameters tab.
If you select User files:

7. The Open dialog box appears.


8. Select the desired profile file (.prof file) and click Open.
The selected profile name will appear in the Profile name field on the
Parameters tab and the profile parameters will display in the tables on
the Parameters tab.

Modifying Profile Parameters


You can modify the values of the profile parameters to reflect more recent
updated assay data.

Before you start


A profile must already be selected and displayed on the Parameters tab.

To modify the profile parameters:

1. On the Molecular Methods form, click the Parameters tab.


2. On the Parameters tab, double-click the editable grid and enter the
new value.
If the value you entered violates any limitations, warning messages will
be displayed and the system will reject the new value.
The following parameters are editable on the Parameters tab:

l Molecular Specification table


o Wt(%)
o β
o α
Notes:
o
β and α are required for Gamma functions. These two parameters
are not editable when Uniform is selected as the function.
o
For Mole Fraction of 6CR in class Naphthenes (N) and Naph-
thenic Sulfides (SN), only β is required.
o
For the Asphaltene factor in the Aromatics class, only β is required.
l Viscosity table
o k0
o k1

6 Characterizing Assays 127


o k2
o k3

Enabling Data Regression

Before you start


Make sure the Molecular Characterization check box on the Assay Man-
agement ribbon is selected.

To enable data regression:

l On the Molecular Methods form, select the Enable regression check


box on the Parameters tab to activate data regression.

After enabling data regression, the icon appears beside each parameter
that can be used for data regression. Meanwhile, Assay Management checks
whether there are related property input data. If there are, Assay Management
will use all the parameters from the profile to do the regression, no matter
whether the related property is selected or not on the Data Setup tab. If not,
Assay Management will set dependent parameter values according to the fol-
lowing rules:

l The distribution function and parameters of methylene in sulfides are


equal to those of methylene in paraffins.
l The distribution function and parameters of methylene in mercaptans
are equal to those of methylene in paraffins.
l The distribution function and parameters of naphthenic sulfides are equal
to the corresponding ones in naphthenes.
l The distribution function and parameters of side chain carbon number in
phenols are equal to those of methylene in paraffins.
l The distribution function and parameters of methylene in paraffinic acids
are equal to those of methylene in paraffins.
l The distribution function and parameters of naphthenic acids are equal to
the corresponding ones in naphthenes.
l The distribution parameters of aromatic acids are equal to the cor-
responding ones in aromatics.
In addition, the Run evaluation button will change to Run regression on the
Parameters tab, but is unavailable until the setup of the Parameters tab is
complete.

Specifying Parameters for Data Regression Manu-


ally

The icon appears when the Enable regression check box is selected.

128 6 Characterizing Assays


Before you start
Ensure that data regression is enabled.

To specify a parameter for data regression:

1. On the Molecular Methods form, click the Parameters tab.

A icon displays beside each parameter that can be regressed.


2. Select the check box of the desired parameters for regression.
Specify the parameters according to the following rules when you select para-
meters for regression:

Notes:
1. For most properties, the priority of the parameter selection is the class weight (Wt%),
scale parameter (β) and shape parameter (α).
2. For TotalAcidNumber, the priority of parameter selection is the class weight of naph-
thenic acids, scale parameter of naphthenic acids, shape parameter of naphthenic acids,
class weight of aromatic acids, scale parameter of aromatic acids, shape parameter of aro-
matic acids, class weight of phenols, scale parameter of phenols, shape parameter of phen-
ols, class weight of paraffinic acids, scale parameter of paraffinic acids and shape
parameter of paraffinic acids.
l The regressed parameters should not be more than the experimental
data points to be used for any property.
l Parameters for hydrocarbon molecules are essential to fit the distillation
curve, density curve, PNA curve, carbon content, hydrogen content,
refractive index, carbon residue, asphaltene content, wax content and so
on.
l The selected parameters for hydrocarbon molecules should not be more
than the data points of all the selected properties, excluding SulfurByWt,
SulfideByWt, MercaptanSulfurByWt, ThiophenesByWt, ThiophenesByVol,
NitrogenByWt, BasicNitrogenByWt, TotalAcidNumber and Naph-
thenicAcidByWt.
l When the viscosity data are included in regression, the viscosity para-
meters are regressible. The priority of parameter selection is k0, k1, k2
and k3.
l When data of certain property is selected for regression, the class
weight and distribution parameters for specific compound classes must
be regressible.
Note: If a property is included in the regression, at least one parameter of this
property must be selected to complete the input for this property.

The table below describes the details:

6 Characterizing Assays 129


Property Included Regressible Class Regressible Distribution
in Regression Weight for Com- Paramerters for Com-
pound Class: pound Class:

l
Sulfides l
Sulfides
SulfideByWt l
Naphthenic Sulf- l
Naphthenic Sulfides
ides

MercaptanSulfurByWt l
Mercaptans l
Mercaptans

ThiophenesByWt l
Thiophenes l
Thiophenes

ThiophenesByVol l
Thiophenes l
Thiophenes

l
Sulfides
l
Mercaptans
SulfurByWt l
Naphthenic sulf-
l
Thiophenes
ides
l
Thiophenes

BasicNitrogenByWt l
Carbozoles

NitrogenByWt l
Carbozoles

NathphenicAcidByWt
l
Naphthenic l
Naphthenic Acids
Acids

l
Phenols l
Phenols
l
Paraffinic Acids l
Paraffinic Acids
TotalAcidNumber l
Naphthenic l
Naphthenic Acids
Acids l
Aromatic Acids
l
Aromatic Acids

The default upper and lower bounds Assay Management provides for various
parameters are as follows:

Parameter Default Lower Bound Default Upper Bound

Class weight (Wt%) 0 100

Gamma distribution 0.01 1000


scale parameter (β)

Gamma distribution 0.01 100


shape parameter (α)

Mole fraction of 6 CR 0 1

Asphaltene factor 0 1

130 6 Characterizing Assays


Parameter Default Lower Bound Default Upper Bound

k0 -10 0

k1 -1000 1000

k2 0 1000000

k3 0 10000

A warning message appears when you enter invalid values.

Specifying the Data Setup Tab Manually


To set up the data and algorithm:

1. On the Molecular Methods form, click the Data Setup tab.


2. On the Data Setup tab, enter the required information.
Note: The Algorithm field is activated only under the regression mode.

All the available data for the properties supported by the molecular method will
be selected on the Data Setup tab when molecular characterization is enabled.
The Data Setup tab is complete when at least one type of assay data is selec-
ted.

When the Data Setup tab is properly specified, the icon on the tab will

change to .

Setting Up Regression Automatically


You can set up the parameters and data for regression automatically.

To automatically set up regression:

1. On the Molecular Methods form, click the Parameters tab.


2. Select the Enable regression check box to enable the Basic Setup but-
ton.
3. Click Basic Setup. A regression case is set up automatically to use all
available data on the Data Setup tab and with parameters selected on
the Parameters tab based on data available.

The status of both tabs change to .

When using Basic Setup, the system selects the following properties, if avail-
able, on the Data Setup tab:

l CutYieldByWt
l CutYieldByVol
l LiquidDensity
l StdLiquidDensity

6 Characterizing Assays 131


l SpecificVolume
l MolecularWeight
l CriticalTemperature
l CriticalPressure
l CriticalVolume
l DynamicViscosity
l KinematicViscosity
l Watson K
l AsphalteneByWt
l SulfurByWt
l AromByVol
l AromByWt
l NaphthenesByVol
l NaphthenesByWt
l ParaffinsByVol
l ParaffinsByWt
l RVP
l TVP
l CarbonByWt
l HydrogenByWt
l CtoHRatioByWt
l ThiophenesByVol
l ThiophenesByWt
l WaxContent
l C5Mass
l C5Vol
l nC7ByWt
l N+2A
l N+A
l ConradsonCarbonByWt
l NitrogenByWt
l MercaptanSulfurByWt
l SulfideByWt
l MicroCarbonResidueByWt
l SaturatesByVol
l SaturatesByWt
l Refractldx
l ConradsonCarbonByWt
l NaphthalenesByWt
l NaphthalenesByVol
l nParaffinsByWt

132 6 Characterizing Assays


l nParaffinsByVol
l isoParaffinsByWt
l isoParaffinsByVol
l GrossHeatingValue
l NetHeatValue
l RamsCarbonResidue
The Basic Setup scenario uses the following parameters for regression:

l Class weights (Wt%) of paraffins, naphthenes, aromatics and


thiophenes
l The scale parameters (β) for gamma distributions of the segments in
paraffins, naphthenes and aromatics
l The shape parameters (α) for gamma functions of the thiophene seg-
ments
l Mole fraction of 6CR in naphthenes
l Asphaltene factor in aromatics
The system selects the following properties if they are available on the Data
Setup tab:

l LiquidDensity
l StdLiquidDensity
l DynamicViscosity
l KinematicViscosity
l Watson K
l AsphalteneByWt
l SulfurByWt
l MercaptanSulfurByWt
l AromByVol
l AromByWt
l NaphthenesByVol
l NaphthenesByWt
l RVP
l TotalAcidNumber
l BasicNitrogenByWt
l NitrogenByWt
l RefractIdx
l ConradsonCarbonByWt
l MicroCarbonResidueByWt
l CarbonByWt
l HydrogenByWt
l CtoHRatioByWt

6 Characterizing Assays 133


l ThiopheneByWt
l ThiopheneByVol
With Basic Setup, you can still change the regressed parameters or change
the data to be used on the Data Setup tab. The basic setup is simply a con-
venient way to get the regression setup quickly.

Running Data Regression


You can optimize profile parameters by fitting to available experimental data.

Note: If you load a previous version of an .afam file with the Molecular Char-
acterization option selected, the profile saved in that case cannot be used. You must run
data regression again.

To run data regression:

1. On the Molecular Methods form, click the Parameters tab.


2. On the Parameters tab, select a profile and modify the profile para-
meters as required.
3. Enable data regression on the Parameters tab.
4. Specify the parameters and data/algorithm used for the data regression
manually or automatically.
The Run regression button is activated once the Parameters tab is
adequately specified.
5. Click Run regression. The data regression process begins. The Aspen
Assay Management dialog box appears, displaying the process mes-
sages.
Alternatively, right-click the Petroleum Assays node and select Run
Regression from the context menu to execute data regression.
When choosing to use a new profile, Assay Management checks whether there
are related property input data. If there are, Assay Management will use all the
parameters from the profile to do the regression, no matter whether the
related property is selected or not on the Data Setup tab.

l If the property is not included on the Data Setup tab, then the para-
meters of the property cannot be regressed and the parameter values
are read-only on the Parameters tab.
l If the property is on the Data Setup tab but not selected, then the para-
meters of the property cannot be regressed but the parameter valued
can be edited on the Parameters tab.
l If the property is selected on the Data Setup tab, then the parameters
of the property can be regressed and the parameter values are editable
on the Parameters tab.
When the regression finishes successfully, the results will be displayed on the
Residuals and Summaries tab. The icon appears next to the tab name for

134 6 Characterizing Assays


a successful data regression. If error occurs during the regression, the icon
appears next to the tab name.

You can run data regression multiple times if it stops due to the iteration limit.
The regression results generated from last run will be the starting point of the
new data regression. You can also increase the maximum number of iterations
allowed on the Data Setup tab of the Molecular Methods form.

Characterization runs automatically with the regressed parameters. The results


will be displayed on the Results Summary tab of the Molecular Results
form.

Running Data Regression from the Petroleum


Assays node

Before you start


You must have assay nodes with complete molecular profile data regression
specifications.

To run the data regression from the Petroleum Assays node:

1. Right-click the Petroleum Assays node and select Run Regression


from the context menu.
The Run Regression dialog box appears, listing all the assays which
have a complete Molecular Methods form with data regression
enabled.

2. On the Run Regression dialog box, click to select the assay(s).


Press Shift or Ctrl key on the key board to multi-select assays.
3. Click OK. Data regression will run on the selected assays, one at a time.
The Aspen Assay Management dialog box appears, displaying the pro-
gress messages.
When the regression finishes successfully, the Residuals and Summaries tab is
activated to display the regression results, with the icon on the tab. If an
error occurs during the regression, the icon appears on the tab.

Saving a Profile
To save a profile:

1. On the Molecular Methods form, click the Parameters tab.


2. Click Save Profile. The Save As dialog box appears.
3. Select the location for the profile and enter the File name.
4. Click OK. The profile will be saved as a .prof file.

6 Characterizing Assays 135


When you save a case, the profile parameters will be saved together with the
case.

Segments and Compounds


The table below summarizes the segments and their ranges of numbers in the
classes of compounds.

Class Segment Name Segment Range of Segment


Structure Numbers

Paraffins (P) Methyl -CH3 2~7

Methylene -CH2- 0~60

One-branch 0~1
methylene

Two-branch 0~2
methylene

6-carbon-ring Base naphthenic 1


Naphthenes (N) ring

Naphthenic side 0~5


ring

Methylene -CH2- 0~49

Methyl -CH3 0~1

5-carbon-ring Base naphthenic 1


Naphthenes (N) ring

Methylene -CH2- 0~3

Methyl -CH3 0~1

Aromatics (A) Base aromatic 1


ring

Aromatic side ring 0~7

Naphthenic side 0~7


ring

Methylene -CH2- 0~49

Methyl -CH3 0~1

Sulfides (S) Methyl -CH3 2

Methylene -CH2- 0~60

Sulfide group -S- 1

136 6 Characterizing Assays


Class Segment Name Segment Range of Segment
Structure Numbers

Mercaptans (M) Methyl -CH3 1

Methylene -CH2- 0~60

Thiol group -SH 1

6-membered-ring Base ring 1


Naphthenic sulf-
ides (SN)
Naphthenic side 0~6
ring

Methylene -CH2- 0~49

Methyl -CH3 0~1

5-membered-ring Base naphthenic 1


Naphthenic sulf- ring
ides (SN)
Methylene -CH2- 0~3

Methyl -CH3 0~1

Thiophenes (T) Thiophenic ring 1

Aromatic side ring 0~7

Methylene -CH2- 0~49

Methyl -CH3 0~1

Initial Parameter Values for Molecular Char-


acterization
This topic provides a set of initial parameter values that can be used to set up a
new assay manually for molecular characterization. By default, profile Initial
Profile.prof is assigned to an assay if a suitable profile cannot be found from
the profile library. The values provided in the Initial Profile.prof are suf-
ficient as starting points to run profile regression. However, you can supply
your own parameter values, if you wish, based on the guidelines given in the
table below.

Selecting a profile from the Assay Management profile library is always recom-
mended.

The initial parameter values are as follows:

6 Characterizing Assays 137


Parameters API≈20 API≈30 API≈40

Class weight, P 10 33 50
wt%
N 30 33 30
A 59 33 29
S 0 0 0
M 0 0 0
SN 0 0 0
T 1 1 1

Viscosity para- k0 0 0 0
meters
k1 -10 -10 -10
k2 5000 5000 5000
k3 100 100 100

138 6 Characterizing Assays


Parameters API≈20 API≈30 API≈40

Molecular dis- P, S Methylene Gamma, 15 10 5


tribution: Scale and shape=1.5
for Gamma func- M
tion One-branch Uniform
methylene

Two-branch Uniform
methylene

N Naphthenic Gamma, 5 2 1
and side ring shape=1
SN
Methylene Gamma, 15 10 5
(6CR) shape=1

Methylene Uniform
(5 CR)

Methyl Uniform

Mole fraction of 6CR 0.7 0.7 0.7

A Aromatic Gamma, 5 2 1
side ring shape=1

Naphthenic Gamma, 5 2 1
side ring shape=1

Methylene Gamma, 15 10 5
shape=1

Methyl uniform

T Aromatic Gamma, 5 2 1
side ring shape=1

Methylene Gamma, 15 10 5
shape=1

Methyl Uniform

6 Characterizing Assays 139


140 6 Characterizing Assays
7 Assay Management Prop-
erty Library Overview

The property library stores properties available in the products. User-defined


properties can be added to the property library.

When the property library is active, the Molecular Methods group in the
Assay Management ribbon will activate. Select the Molecular Char-
acterization check box to perform the characterization using the molecular
method.

On the Property Manager form, you can do the following:

l Add user-defined properties using the following methods:


o From an existing file
o Manually
l Edit properties
l Edit methods/formula from the Property Library form.
l Remove user-defined properties
l Export properties

Adding Properties from a File


You can add user-defined properties to the property library. However, they can-
not be entered manually. All the user-defined properties must be imported
from an .xml file.

To add a property:

1. From the Assay Management navigation pane, click the Libraries tab.
2. Select the Property Library node.
3. On the Assay Management ribbon:
o Click the New icon (graphic at top)
-or-

7 Assay Management Property Library Overview 141


o Click the New Property label (text under icon) and select From
File.
The Open dialog box appears.
4. Select the desired .xml file in the Open dialog box and click OK.

Adding a Formula-Property
Manually
You can add a new formula-property to the Property Library manually. The Prop-
erty will be calculated using the formula that you define.

To add a new assay formula-property manually:

1. Click Customize | Assay Management Property Library.


On the Assay Property Management ribbon:
o Click the New icon (graphic at top).
or
o Click the New label (text under icon) and select New Property.
The New Property dialog box appears.
2. Enter the required information in the New Property dialog box and
click OK.
Notes:
o
You must use the Edit Formula panel to enter the Formula field in the
New Property dialog box for the first time.
o
Except for numbers and operators, the property text cannot be modified
using the keyboard.

The new property can be used on the Petroleum Assays, Assay Properties
Summary, Conventional Results/Molecular Results and Cut Crudes
forms. The new property can also be plotted using the Properties plot. The
property cannot be used on the Input Assay form.

If the properties are used in the forms mentioned above and the case is saved,
these properties will exist in the forms even if they are subsequently deleted
from the Property library.

Editing Assay Properties


To edit a property:

1. From the Assay Management navigation pane, select the Libraries tab.
2. Select the Property Library node.
The Property Manager form opens in the data browser.
3. Double-click the desired property. The Property Details dialog box

142 7 Assay Management Property Library Overview


appears.
4. Edit the Property Details dialog box as necessary and click OK to save
the changes.
The PIMS Code and Blending columns can also be edited in the Property
Manager form directly by double-clicking the grid.

By default, changes made in the Property Details dialog box will not affect
the existing assays. Select the Update All Assays check box in the Property
Details dialog box to apply the changes to all the assays in the current case.

Editing Methods from the Assay Property


Manager Form
You can add or modify the methods applied to the index properties from the
Property Manager form.

Before you start


Ensure the property you want to edit belongs to the Index group.

To edit a method:

1. From the Assay Management navigation pane, select the Libraries tab.
2. Select the Property Library node.
The Property Manager form opens in the data browser.
3. Right-click any grid in the row of an index property and select Edit
Method from the context menu.
The Edit User Defined Methods dialog box appears.
4. Enter the required information in the Edit User Defined Methods dia-
log box and click OK.

Exporting Assay Properties


You can export the properties in the property library.

To export properties:

1. From the Assay Management navigation pane, select the Libraries tab.
2. Select the Property Library node.
The Property Manager form opens in the data browser.
3. On the Assay Management ribbon, click Export.
The Save As dialog box appears.
4. Specify the location and file name and then click Save.

7 Assay Management Property Library Overview 143


Pure Components Can Be Pre-
dicted Without Input
Assay Management can predict compositions of 78 pure components (GC com-
ponents and lumps) without input data. The prediction is performed based on
PONA, distillation and gravity of the naphtha cut. However, for best results, GC
data for components of interest should be supplied.

On the Pure Component tab of the Conventional Results or Molecular Res-


ults form, select any of the below listed pure components from the Component
library. You can view the predicted results.

The following are the 78 pure components:

l Hydrogen
l Methane
l Ethane
l Ethylene
l Propane
l Propylene
l i-Butane
l n-Butane
l Total-butanes
l 1-Butene
l i-Pentane
l n-Pentane
l Total-pentanes
l Pentylenes
l Cyclopentane
l 2,2-Dimethylbutane
l 2,3-Dimethylbutane
l Multi-branch-C6-paraffins
l i-Hexane
l 3-Methylpentane
l Single-branch-C6-paraffins
l n-Hexane
l Hexenes
l Methylcyclopentane
l Benzene
l Cyclohexane
l 2,2-Dimethylpentane
l 2,3-Dimethylpentane
l 2,4-Dimethylpentane

144 7 Assay Management Property Library Overview


l Multi-branch-C7-paraffins
l i-Heptane
l 3-Methylhexane
l 3-Ethylpentane
l Single-branch-C7-paraffins
l n-Heptane
l Heptenes
l 1,1-Dimethylcyclopentane
l Ethylcyclopentane
l Branched-C7-cyclopentanes
l Toluene
l Methylcyclohexane
l Multi-branch-C8-paraffins
l Single-branch-C8-paraffins
l Octenes
l n-Octane
l Branched-C8-cyclopentanes
l Ethyl-Benzene
l o-Xylene
l m-Xylene
l p-Xylene
l C8-aromatics
l C8--cyclohexanes
l C9-isoparaffins
l n-Nonane
l C9-cyclopentanes
l C9-aromatics
l C9-cyclohexanes
l C10-isoparaffins
l n-Decane
l C10-cyclopentanes
l C10-aromatics
l C10-cyclohexanes
l C11-isoparaffins
l n-C11
l C11-cyclopentanes
l C11-aromatics
l C11-cyclohexanes
l C12-paraffins
l C12-naphthenes
l C12-aromatics

7 Assay Management Property Library Overview 145


l C13-paraffins
l C13-naphthenes
l C13-aromatics
l C14-paraffins
l C14-naphthenes
l C14-aromatics
l Coke
l Water

146 7 Assay Management Property Library Overview


8 Property Group Table

In Assay Management, properties are organized into groups. The property


group table shows how the properties are organized, and the relations among
property group, property, unit dimension, parameter and parameter type.

Note: Not all properties have a unit or parameter.


Property Name Unit Dimen- Parameter Parameter
sion Type
Yields

CutYieldByWt Percent

CutYieldByVol Percent

CumulativeYieldByWt Percent

CumulativeYieldByVol Percent
Physical & Transport

LiquidDensity Mass Density Temperature Temperature


StdLiquidDensity Mass Density

SpecificVolume

MolecularWeight

DynamicViscosity Viscosity Temperature Temperature

KinematicViscosity Kinematic Visc. Temperature Temperature

CentroidBoilTemp Temperature
Distillation

Distillation Mass @ X Pct Temperature Mass Percentage Percent

Distillation Vol @ X Pct Temperature Volume Per- Percent


centage

Distillation Mass @ Temp Percent Temperature Temperature

Distillation Vol @ Temp Percent Temperature Temperature

8 Property Group Table 147


Property Name Unit Dimen- Parameter Parameter
sion Type
GC Properties

MassComposition Percent Component String


Name

VolumeComposition Percent Component String


Name
Burning Characteristics

MONClear

RONClear

DONClear

RONLeaded Lead Content

MONLeaded Lead Content


DONLeaded Lead Content

CetaneNumber

SmokePt Length

LuminometerNumber
Other

Acidity Acidity

BromineNumber

AnilinePoint Temperature

WaxContent Percent

C5Mass Percent

C5Vol Percent

WatsonK

CuStripCorrosion Number of Hours Integer

AnilineGravityProduct

Color

AromaticityFactor

N+2A Percent

N+A Percent

VABP Temperature

WABP Temperature

148 8 Property Group Table


Property Name Unit Dimen- Parameter Parameter
sion Type

NetHeatingValue Mass Heat

GrossHeatingValue Mass Heat


Contaminants

AsphalteneByWt Percent

BasicNitrogenByWt Percent

ConradsonCarbonByWt Percent

CopperByWt Percent

NickelByWt Percent

NitrogenByWt Percent

SulfurByWt Percent

MercaptanSulfurByWt Percent

SodiumByWt Percent

SulfideByWt Percent

VanadiumByWt Percent

IronByWt Percent

ZincByWt Percent

TinByWt Percent

ChromiumByWt Percent

LeadByWt Percent

AluminiumByWt Percent

MagnesiumByWt Percent

MetalByWt Percent

NaClByWt Percent

SaltByWt Percent

MudByWt Percent

ChloridesByWt Percent

MolybdenumByWt Percent

AshByWt Percent

GumByWt Percent

8 Property Group Table 149


Property Name Unit Dimen- Parameter Parameter
sion Type

nC7ByWt Percent

MicroCarbonResidueByWt Percent

nC5InsolublesByWt Percent

NapththenicAcidByWt Percent

NapththenicAcidByVol Percent
RamsCarbonResidueByWt Percent
ArsenicByWt Percent
CadmiumByWt Percent
MercuryByWt Percent
Cold Properties

FreezePoint Temperature

PourPoint Temperature

CloudPoint Temperature

ColdFilterPlugPoint Temperature

Penetration

SofteningPoint Temperature
Flammability Properties

FlashPoint Temperature

RVP Pressure

TVP Pressure
PONA and Composition

AromByVol Percent

AromByWt Percent

NaphthenesByVol Percent

NaphthenesByWt Percent

ParaffinsByVol Percent

ParaffinsByWt Percent

SaturatesByVol Percent

SaturatesByWt Percent

ResinsByVol Percent

150 8 Property Group Table


Property Name Unit Dimen- Parameter Parameter
sion Type

ResinsByWt Percent

CarbonByWt Percent

HydrogenByWt Percent

CtoHRatioByWt Percent

ThiophenesByVol Percent

ThiophenesByWt Percent

AromaticCarbonByWt Percent

ParaffinicCarbonByWt Percent

NaphthenicCarbonByWt Percent

isoParaffinsByVol Percent

isoParaffinsByWt Percent

nParaffinsByVol Percent

nParaffinsByWt Percent

NaphthalenesByVol Percent

NaphthalenesByWt Percent

OlefinsByVol Percent

OlefinsByWt Percent
Arom-1RingByWt Percent
Arom-2RingByWt Percent
Arom-3RingByWt Percent
Arom-4RingByWt Percent
AROM-4+RINGBYWT Percent
NAPHTHENES- Percent
1RINGBYWT
NAPHTHENES- Percent
2RINGBYWT
NAPHTHENES- Percent
3RINGBYWT
NAPHTHENES- Percent
4RINGBYWT
NAPHTHENES- Percent
4+RINGBYWT
HYDROAROM-1A1NBYWT Percent

8 Property Group Table 151


Property Name Unit Dimen- Parameter Parameter
sion Type
HYDROAROM-1A2NBYWT Percent
HYDROAROM-1A3NBYWT Percent
HYDROAROM- Percent
NAPHTHALENE1NBYWT
HYDROAROM- Percent
FLUORENEBYWT
HYDROAROM-2A2NBYWT Percent
HYDROAROM-3A1NBYWT Percent
HYDROAROM-1A3+NBYWT Percent
HYDROAROM-2A2+NBYWT Percent
HYDROAROM-3A1+NBYWT Percent
HYDROAROM-3+ABYWT Percent
NEUTRALNITROGEN- Percent
0A0NBYWT
NEUTRALNITROGEN- Percent
1ABYWT
NEUTRALNITROGEN- Percent
2ABYWT
NEUTRALNITROGEN- Percent
3ABYWT
NEUTRALNITROGEN- Percent
1NBYWT
NEUTRALNITROGEN- Percent
2NBYWT
NEUTRALNITROGEN- Percent
3NBYWT
NEUTRALNITROGEN- Percent
1A1NBYWT
NEUTRALNITROGEN- Percent
2A1NBYWT
NEUTRALNITROGEN- Percent
1A2NBYWT
NEUTRALNITROGEN- Percent
2A1+NBYWT
NEUTRALNITROGEN- Percent
1A2+NBYWT
NEUTRALNITROGEN- Percent
3+ABYWT

152 8 Property Group Table


Property Name Unit Dimen- Parameter Parameter
sion Type
NEUTRALNITROGEN- Percent
0A3+NBYWT
BASICNITROGENRING- Percent
0A0NBYWT
BASICNITROGENRING- Percent
1NBYWT
BASICNITROGENRING- Percent
1ABYWT
BASICNITROGENRING- Percent
1A1NBYWT
BASICNITROGENRING- Percent
2ABYWT
BASICNITROGENRING- Percent
2NBYWT
BASICNITROGENRING- Percent
2A1NBYWT
BASICNITROGENRING- Percent
1A2NBYWT
BASICNITROGENRING- Percent
3ABYWT
BASICNITROGENRING- Percent
3NBYWT
BASICNITROGENRING- Percent
2A1+NBYWT
BASICNITROGENRING- Percent
1A2+NBYWT
BASICNITROGENRING- Percent
3+ABYWT
BASICNITROGENRING- Percent
0A3+NBYWT
THIOPHENES-0A0NBYWT Percent
THIOPHENES-1ABYWT Percent
THIOPHENES-1NBYWT Percent
THIOPHENES-1A1NBYWT Percent
THIOPHENES-2ABYWT Percent
THIOPHENES-2NBYWT Percent
THIOPHENES-2A1NBYWT Percent
THIOPHENES-1A2NBYWT Percent
THIOPHENES-3ABYWT Percent

8 Property Group Table 153


Property Name Unit Dimen- Parameter Parameter
sion Type
THIOPHENES-3NBYWT Percent
THIOPHENES- Percent
1A2+NBYWT
THIOPHENES- Percent
2A1+NBYWT
THIOPHENES-3+ABYWT Percent
THIOPHENES- Percent
0A3+NBYWT
AROMATICCARBON_CA
NAPHTHENICCARBON_CN
CARBONBYWT Percent
Physical

ThetaA

ThetaB

CriticalTemperature Temperature

CriticalPressure Pressure

CriticalVolume Volume

CharacteristicVolume

OmegaSRK

Accentricity

Temperature Temperature
Required

Temperature Temperature

Mass Percentage Percent

Volume Percentage Percent


Index

ViscosityIndex Temperature Temperature

RVPIndex Temperature Temperature

CloudPointIndex

PourPointIndex

FlashPointIndex

DieselIndex

154 8 Property Group Table


Property Name Unit Dimen- Parameter Parameter
sion Type

PenetrationIndex

RefractIdx Temperature Temperature

CetaneIndex

SmokePointIndex

FreezePointIndex

8 Property Group Table 155


156 8 Property Group Table
9 Property Calculations

The property calculations include the following:

l Physical and Transport Properties


l Petroleum Properties
l Burning Characteristic Properties
l Index Properties
l Cold Properties
l Flammability Properties
l PONA and Composition Properties
l Other Properties
l Contaminants Group Properties
l Yields Group Properties

Physical and Transport Prop-


erties
All physical and transport properties of an assay are calculated/estimated
based on critical information, including:

l Centroid boiling point


l Molecular weight
l Standard liquid density
l Basic physical properties/parameters, such as critical temperature,
acentric factor, etc.
If these critical property values are not provided, the estimated values are cal-
culated based on the component's property values.

The properties considered as pseudo components (microcuts) are active in the


assay. The basic physical properties of pseudo components (microcuts) are
estimated by Twu correlation.

The physical and transport properties include the following:

9 Property Calculations 157


l Centroid boiling point
l Standard liquid density
l Molecular weight
l Specific volume
l Liquid Density @ X C
l Dynamic and kinematic viscosity @ X C

Centroid Boiling Point


The centroid boiling point of the pseudo components (microcuts) is calculated
by the following formula:

CBP = 0.5*(IBP+FBP)

Where:

l IBP = initial boiling point of the pseudo component.


l FBP = final boiling point of the pseudo component.
The centroid boiling point of an assay is calculated based on the following blend
method:

CBP = 0.5*(MABP+CABP)

Where

l MABP = Σ (Xmol * CentroidBP)


l CABP = (Σ(Xvol*( ∛CentroidBP)))^3
l Xmol = Mole Fraction of pseudo component (microcut)
l Xvol = Volume Fraction of pseudo component (microcut)
l CentroidBP = Centroid Boiling Temperature of pseudo component (micro-
cut) in Kelvin
l CBP = centroid Boiling Point in Kelvin

Standard Liquid Density

l The standard liquid density of the pseudo component is estimated by the


Lee-Kesler correlation method based on the centroid boiling point.
l The standard liquid density of an assay is calculated by the following for-
mula:

(
SLD = Σ moleFrac i × MWi ÷ Σ ) ( moleFraci × MWi
Den i )
Where:

l moleFrac = Mole Fraction of pseudo component i


i
l MW = Molecular Weight of pseudo i
i

158 9 Property Calculations


l Den = Standard Liquid Density of Pseudo Component i in kg/m3
i
l SLD = Standard Liquid Density of Assay in kg/m3

Molecular Weight
The molecular weight of the pseudo component is estimated by the Twu cor-
relation method based on the centroid boiling point and standard liquid density.

The Mass Blend method is used to calculate the standard molecular weight of an
assay.

Specific Volume
The specific volume of the pseudo component is calculated using the standard
liquid density.

The volume blend method is used to calculate the standard specific volume of
an assay.

Liquid Density @ X C
Liquid density is calculated at a specified temperature by COSTALD model3. The
calculation is based on the basic physical properties and parameters that are
estimated by the Twu correlation.

Dynamic and Kinematic Viscosity @ X C


Dynamic and Kinematic Viscosity are calculated at specified temperatures
using the standard HYSYS method. The calculation is based on the basic phys-
ical properties and parameters that are estimated by the Twu correlation.

The following blending methods are used to calculate the kinematic viscosity:

l Index Blend
o Viscosity Index Method
This index method is Aspen_ViscosityIndex method.
o ABML_Viscosity1 method
This index method is ABML_ViscosityIndex1 method.
o ABML_Viscosity3 method
This index method is ABML_ViscosityIndex3 method.
l Volume Blend

Petroleum Properties
The petroleum properties are calculated using the following blending methods:

9 Property Calculations 159


l Mass blend
l Mole blend
l Volume blend
l Index blend
l Healy blend

Mass Blend
The mass blend is used to blend properties based on the mass fraction. The fol-
lowing is the calculation formula:

MixProp = Σ (Xmass * Propi)

Where:

l Xmass = mass fraction of pseudo component (microcut) i


l Propi = property to be blended in each pseudo component
l Mixprop = mixed value of the targeted property

Mole Blend
The mole blend is used to blend properties based on the mole fraction. The fol-
lowing is the calculation formula:

MixProp = Σ (Xmole * Propi)

Where:

l Xmole = mole fraction of pseudo component (microcut) i


l Propi = property to be blended in each pseudo component
l Mixprop = mixed value of the targeted property

Volume Blend
The volume blend is used to blend properties based on the volume fraction. The
following is the calculation formula:

MixProp = Σ (Xvol * Propi)

Where:

l Xvol = volume fraction of pseudo component (microcut) i


l Propi = property to be blended in each pseudo component
l Mixprop = mixed value of the targeted property

Index Blend

160 9 Property Calculations


The index blend is used to blend properties based on the volume fraction of
property index. The following calculation formulas are used:

MixPropIndex = Σ (Xvol * PropIndexi)

MixProp = PropFromIndex(PropIndexi)

Where:

l Xvol = volume fraction of pseudo component (microcut) i


l PropIndexi = property Index to be blended in each pseudo component
l MixpropIndex = mixed value of the targeted property index
l Mixprop = mixed value of the targeted property

Healy Blend for RON and MON


The Healy blend for RON and MON calculation uses the following formulas:

Where:

RONsum = ΣRON i × Vi
i

MONsum = ΣMON i × Vi
i

Olfsum = ΣOlfi × Vi
i

Olfsum2 = ΣOlf i2 × Vi
i

Arom sum = ΣArom i × Vi


i

Arom sum2 = ΣArom i2 × Vi


i

9 Property Calculations 161


Vi = Volume Fraction

For stream level blending:


Volume Flowi
VolFrac =
volume flow of stream

For component level blending:


Volume flow of component i in stream
VolFrac =
Total volume flow of component in all streams

Burning Characteristic Prop-


erties
The burning characteristic group properties include the following:

l MONClear
l RON Clear
l DON Clear
l RON Leaded
l MON Leaded
l DON Leaded
l Cetane Number
l Smoke Point
l Luminometer Number

MON Clear
The MON Clear is calculated using the following methods:

162 9 Property Calculations


l Volume blend
l Healy blend

RON Clear
The RON Clear is calculated using the following formula:

RONidx i = a + b(RON ic ) (1)

The values of parameters a, b and c are determined based on the value of


RONi.

The RONidx blending by volume and the RON of the blend are calculated using
the following reverse formula:

RON = exp(d , Log(RONidx − e) ÷ f ) (2)

The values of parameters d, e and f are determined based on the value of


RONidx.

Where:

l RON = RON of Component i


i
l RONidx = RON Index for Component i
i
l RON = RON of Blend
l RONidx = RON Index for Blend
l a, b, c, d, e, and f = Parameters
The RON Clear is calculated using the following blending methods:

l Volume blend
l Healy blend

DON Clear
The DON Clear is calculated using the following formula:

(
DON Clear = ) RON + MON
2

The volume blend method is used for DON Clear.

RON Leaded
The RON Leaded is calculated using the following methods:

l Volume blend
l Healy blend

9 Property Calculations 163


MON Leaded
The MON Leaded is calculated using the following methods:

l Volume blend
l Healy blend

DON Leaded
The DON Leaded is calculated using the following methods:

l Volume blend
l Healy blend

Cetane Number
The cetane number is calculated using the following formula:

Cetane Number = 5.28 + 0.371(CetIdx ) +0.0112 (CetIdx )2


4737 4737
Where:

CetIdx = Cetane Index(4737), see Cetane Index


4737
The mass blend method is used for cetane number.

Smoke Point
The smoke point is calculated using a built-in formula.

The mass blend method is used for the assay.

Luminometer Number
The luminometer number is calculated using a built-in formula.

Index Properties
The index group properties include the following:

l Viscosity Index
l RVP Index
l Cloud Point Index
l Pour Point Index
l Flash Point Index
l Diesel Index
l Penetration Index
l Refractive Index

164 9 Property Calculations


l Cetane Index
l Smoke Point Index
l Freeze Point Index

Viscosity Index
Three correlation methods are available to calculate the viscosity index:

l Aspen_ViscosidyIndex
ViscosityIndex = log10[log10(KinematicViscosityIncSt+0.8)]
l ABML_ViscosityIndex1
ViscosityIndex = log10[log10(KinematicViscosityIncSt+0.08)]
l ABML_ViscosityIndex3
ViscosityIndex = 41.10743-49.08258*log10[log10(Kinemat-
icViscosityIncSt 0.8)]
Where:

KinematicViscosityIncSt = Kinematic Viscosity in cSt

RVP Index
Two correlation methods are available to calculate the Reid Vapor Pressure
(RVP) index:

l Aspen_RVPIndex
RVPIndex = (1.45*RVPInkPa)^1.25
RVPInkPa = RVP in kPa
l ABML_RVPIndex
RVPIndex = (RVPInpsia)^1.25
RVPInpsia = RVP in psia

Cloud Point Index


Three correlation methods are available to calculate the cloud point index:

l Aspen_CloudPointIndex
CloudPointIndex = (CloudPointInR)^(1/0.55)
l Aspen_CloudPointIndex2
CloudPointIndex = 10000*( CloudPointInR /600)^16.7
l ABML_CloudPointIndex2
CloudPointIndex = 1e-10*(0.01*CloudPointInR)^(1/0.06)
Where:

CloudPointInR = CloudPoint in R

9 Property Calculations 165


Pour Point Index
Three correlation methods are available to calculate the pour point index:

l Aspen_PourPointIndex
PourPointIndex = exp(-73.0883 + 12.885 * log(PourPointInR))
l Aspen_PourPointIndex2
PourPointIndex = exp(PourPointInF*0.03)
l Aspen_PourPointIndex3
PourPointIndex = (PourPointInR/600)^(1/0.045)*10^4
Where:

l PourPointInR = Pour Point in R


l PourPointInF = Pour Point in F

Flash Point Index


Two correlation methods are available to calculate the flash point index:

l Aspen_FlashPointIndex
FlashIndex = (FlashPointInR)^(-1/0.6)
l ABML_FlashPointIndex
FlashPointIndex = 100000*( FlashPointInR)^(-1/0.6)
Where:

FlashPoint = Flash Point in R

Diesel Index
The diesel index is calculated using the following formula:

DieselIndex = API*AnilinePoint(F)/100

Penetration Index
The penetration index is calculated using the following formula:

PenetrationIndex = exp(-0.06443*PourPointInC + 0.017783*ln(Kinemat-


icViscosityIncSt)^2 + 26.102/ln(KinematicViscosityIncSt) + 3.6837)

Where:

l PourPointInC = Pour Point in C


l KinematicViscosityIncSt = Kinematic Viscosity at 100 F, unit in cSt

Refractive Index

166 9 Property Calculations


The refractive index is calculated using Riazi-Roomi estimation method. The fol-
lowing blends are used during the calculation:

l Mole blend
l Volume blend
l Mass blend

Cetane Index
Three correlation methods are available to calculate the cetane index:

l ASTM-D4737
l ABML_D976-80
l ABML_D4737-96a

ASTM-D4737

CetIdx 4737 = 45.2 + 0.0892 T 10Dif + 0.131 + 0.901SGCorr 


( ) ( )
× T 50Dif + 0.0523 − 0.42SGCorr  × T 90Dif
( )
( ) (
+ 0.00049 [T 10Dif ]2 − [T 90Dif ]2 + 107.0 SGCorr + 60.0 SGCorr ) ( )
Where:

l D86T10 = D86 value in C at 10% volume


l T10Dif + D86T10 - 215.0
l SG = exp(-3.5[SG - 0.85]) - 1.0
Corr
l T50Dif = D86T50 - 260.0
l D86T90 = D86 value in C at 90% volume
l T90Dif = D86T90 - 310.0
l D86T50 = D86 value in C at 50% volume

ABML_D976-80

( )
CetIdx976 = − 420.34 + 0.016(API )2 + 0.192 API log10 D86T 50F ( )
+ 65.01(log[D86T 50F ])2 − 0.0001809(D86T 50F )2
Where:

l D86T50F = D86 value in F at 50% volume

9 Property Calculations 167


ABML_D4737-96a
CetaneIndex = − 386.26 × SG + 0.09668 × T 10F
+ 0.06751 × T 50F + 0.01025 × T 90F + 291.83

Smoke Point Index


The smoke point index is calculated using the following formula:

SmokePointIndex = 1.0 / SmokePointInmm

Where:

SmokePointInmm = Smoke Point in mm

Freeze Point Index


The freeze point index is calculated using the following formula:

FreezePointIndex = 2.718^ (0.06548 * FreezePointInC + 3.514)

Where:

FreezePointInC = Freeze Point in C

Cold Properties
The cold group properties include the following:

l Freeze Point
l Pour Point
l Cloud Point
l Cloud Filter Plug Point
l Softening Point
l Penetration

Freeze Point
The freeze point is calculated using a built-in formula.

The following blending methods are used for assays:

l Index blend
o FreezePointIndex method
The freeze point index is calculated using the following formula:
FPIndex = exp(2.35+0.03638*FreezePointInR).
o FreezePointIndex2 method

168 9 Property Calculations


This index method is Aspen_FreezePointIndex method.
l Volume blend

Pour Point
The pour point is calculated using a built-in formula.

The following blending methods are used for assays:

l Index blend
o PourPointIndex method
This index is Aspen_PourPointIndex method.
o PourPointIndex2 method
This index method is Aspen_PourPointIndex2 method.
o PourPointIndex3 method
This index method is Aspen_PourPointIndex3 method.
l Volume blend

Cloud Point
The cloud point is calculated using a built-in formula.

The following blending methods are used for assays:

l Index blend
o CloudPointIndex method
This index is Aspen_CloudPointIndex method.
o CloudPointIndex2 method
This index method is Aspen_CloudPointIndex2 method.
o ABML_CloudPoint2 method
This index method is ABML_CloudPointIndex2 method.
l Volume blend

Cloud Filter Plug Point


The cloud filter plug point is calculated using the following formula:

CloudFilterPlugPoint = CloudPoint – 5.0

Where:

CloudPoint = Cloud Point in C

The volume blend is used for assays.

Softening Point
The softening point is calculated using a built-in formula.

9 Property Calculations 169


The volume blend is used for assays.

Penetration
The Penetration is calculated using a built-in formula.

The volume blend is used for the assays.

Flammability Properties
The flammability group properties include the following:

l Flash Point
l Reid Vapor Pressure
l True Vapor Pressure

Flash Point
The flash point is calculated using the API 2B7.1 method. The formula for cal-
culation is as follows:
1
FP =
+ 3.4254e − 3 × logD86temp10
2.84947
− 0.024209 +
D 86temp 10  

Where:

l FP = Flash point in K
l D86temp10 = 10 vol% D86 temperature in K
The following blending methods are used for assays:

l Index blend
o FlashPointIndex method
This index is Aspen_FlashPointIndex method.
o ABML_FlashPoint method
This index is ABML_FlashPointIndex method.
l Volume blend

Reid Vapor Pressure (RVP)


The RVP is calculated using the API 5B1.2 method, the formula for calculation is
as follows:

RVPInkPa = 6894.7573*exp(A1+XP*(A2+XP*(A3+XP (A4+XP*(A5+XP* A6)))))


/1000.0

Where:

170 9 Property Calculations


l A1 = -0.4395868
l A2 = 2.002661
l A3 = -1.038536
l A4 = 0.5274879
l A5 = -0.1417
l A6 = 0.01482379
l XP = ln(TVPInPsia)
l TVPInPsia = True Vapor Pressure in psia
l RVPInkPa = Reid Vapor pressure in kPa
The following blending methods are used for assays:

l Index blend
o RVPIndex method
This index is Aspen_RVPIndex method.
o ABML_RVP method
This index is ABML_RVPIndex method.
l Volume blend

True Vapor Pressure


The true vapor pressure is calculated using a built-in formula.

PONA and Composition Prop-


erties
The PONA and composition property group contains the following:

l Aromatics by Volume
l Aromatics by Weight
l Naphthenes by Volume
l Naphthenes by Weight
l Paraffins by Volume
l Paraffins by Weight
l Saturates by Volume
l Saturates by Weight
l Resins by Volume
l Resins by Weight
l Hydrogen by Weight
l C To H Ratio by Weight
l Thiophenes by Volume
l Thiophenes by Weight

9 Property Calculations 171


l CsubA by Weight
l CsubP by Weight
l CsubN by Weight
l Arom-1RingByWt
l Arom-2RingByWt
l AROM-3RINGBYWT
l AROM-4RINGBYWT
l AROM-4+RINGBYWT
l NAPHTHENES-1RINGBYWT
l NAPHTHENES-2RINGBYWT
l Naphthenes-3RingByWt
l Naphthenes-4RingByWt
l Naphthenes-4+RingByWt
l HydroArom-1A1NByWt
l HydroArom-1A2NByWt
l HydroArom-1A3NByWt
l HydroArom-Naphthalene1NByWt
l HydroArom-FluoreneByWt
l HydroArom-2A2NByWt
l HydroArom-3A1NByWt
l HydroArom-1A3+NByWt
l HydroArom-2A2+NByWt
l HydroArom-3A1+NByWt
l HydroArom-3+AByWt
l NeutralNitrogen-0A0NByWt
l NeutralNitrogen-1AByWt
l NeutralNitrogen-2AByWt
l NeutralNitrogen-3AByWt
l NeutralNitrogen-1NByWt
l NeutralNitrogen-2NByWt
l NeutralNitrogen-3NByWt
l NeutralNitrogen-1A1NByWt
l NeutralNitrogen-2A1NByWt
l NeutralNitrogen-1A2NByWt
l NeutralNitrogen-2A1+NByWt
l NeutralNitrogen-1A2+NByWt
l NeutralNitrogen-3+AByWt
l NeutralNitrogen-0A3+NByWt
l BasicNitrogenRing-0A0NByWt
l BasicNitrogenRing-1NByWt
l BasicNitrogenRing-1AByWt

172 9 Property Calculations


l BasicNitrogenRing-1A1NByWt
l BasicNitrogenRing-2AByWt
l BasicNitrogenRing-2NByWt
l BasicNitrogenRing-2A1NByWt
l BasicNitrogenRing-1A2NByWt
l BasicNitrogenRing-3AByWt
l BasicNitrogenRing-3NByWt
l BasicNitrogenRing-2A1+NByWt
l BasicNitrogenRing-1A2+NByWt
l BasicNitrogenRing-3+AByWt
l BasicNitrogenRing-0A3+NByWt
l Thiophenes-0A0NByWt
l Thiophenes-1AByWt
l Thiophenes-1NByWt
l Thiophenes-1A1NByWt
l Thiophenes-2AByWt
l Thiophenes-2NByWt
l Thiophenes-2A1NByWt
l Thiophenes-1A2NByWt
l Thiophenes-3AByWt
l Thiophenes-3NByWt
l Thiophenes-1A2+NByWt
l Thiophenes-2A1+NByWt
l Thiophenes-3+AByWt
l Thiophenes-0A3+NByWt
l AromaticCarbon_Ca
l NaphthenicCarbon_Cn
l CarbonByWt
No correlations are available to empirically estimate the following properties.
If input data is available, the input data will be curve fitted to best represent
the available input data. At least three data points must be available.

l isoParaffinsByVol
l isoParaffinsByWt
l nParaffinsByVol
l nParaffinsByWt
l NaphthalenesByVol
l NaphthalenesByWt
l OlefinsByVol
l OlefinsByWt

9 Property Calculations 173


Aromatics by Volume
The aromatics by volume is calculated using volume blend.

Aromatics by Weight
The aromatics by weight is calculated using mass blend.

Naphthenes by Volume
The naphthenes by volume is calculated using volume blend.

Naphthenes By Weight
The naphthenes by weight is calculated using mass blend.

Paraffins by Volume
The paraffins by volume is calculated using volume blend.

Paraffins by Weight
The paraffins by weight is calculated using mass blend.

Saturates by Volume
The saturates by volume is calculated using volume blend.

Saturates by Weight
The saturates by weight is calculated using mass blend.

Resins By Volume
The resins by volume is calculated using volume blend.

Resins by Weight
The resins by weight is calculated using mass blend.

Hydrogen by Weight
The Hydrogen by Weight is calculated using Mass Blend.

Carbon by Weight

174 9 Property Calculations


The carbon by weight is calculated using mass blend.

C To H Ratio by Weight
The C To H Ratio by Weight is calculated using Mass Blend.

Thiophenes by Volume
The Thiophenes by Volume is calculated using Volume Blend.

Thiophenes by Weight
The Thiophenes by Weight is calculated using Mass Blend.

CsubA by Weight
The CsubA by weight is calculated using Mass Blend.

CsubP by Weight
The CsubP by Weight is calculated using Mass Blend.

CsubN by Weight
The CsubN by Weight is calculated using Mass Blend.

Arom-1RingByWt
Arom-1RingByWt is 1-ring aromatic and is calculated using mass blend.

Arom-2RingByWt
Arom-2RingByWt is 2-ring aromatic and is calculated using mass blend.

AROM-3RINGBYWT
AROM-3RINGBYWT is 3-ring aromatic and is calculated using mass blend.

AROM-4RINGBYWT
AROM-4RINGBYWT is 4-ring aromatic and is calculated using mass blend.

AROM-4+RINGBYWT
AROM-4+RINGBYWT is Over 4 aromatic rings and calculated using mass blend.

9 Property Calculations 175


NAPHTHENES-1RINGBYWT
NAPHTHENES-1RINGBYWT is calculated 1-ring naphthenic content using mass
blend.

NAPHTHENES-2RINGBYWT
NAPHTHENES-2RINGBYWT is calculated 2-RING NAPHTHENIC content using
mass blend.

Naphthenes-3RingByWt
Naphthenes-3RingByWt is calculated 3-RING NAPHTHENIC content using mass
blend.

Naphthenes-4RingByWt
Naphthenes-4RingByWt is calculated 4-RING NAPHTHENIC content using mass
blend.

Naphthenes-4+RingByWt
Naphthenes-4+RingByWt is calculated OVER 4 NAPHTHENIC RINGS content
using mass blend.

HydroArom-1A1NByWt
HydroArom-1A1NByWt is calculated 1-RING AROMATIC WITH 1-NAPHTHENIC
RING content using mass blend.

HydroArom-1A2NByWt
HydroArom-1A2NByWt is calculated 1-RING AROMATIC WITH 2-NAPHTHENIC
RINGS content using mass blend.

HydroArom-1A3NByWt
HydroArom-1A3NByWt is calculated 1-RING AROMATIC WITH 3-NAPHTHENIC
RINGS content using mass blend.

HydroArom-1A3+NByWt
HydroArom-1A3+NByWt is calculated Over 4 Aromatic/Naphthenic 1/3 Rings
content using mass blend.

HydroArom-Naphthalene1NByWt

176 9 Property Calculations


HydroArom-Naphthalene1NByWt is calculated 2-RING AROMATIC
(NAPHTHALENE) WITH 1-NAPHTHENIC RING content using mass blend.

HydroArom-FluoreneByWt
HydroArom-FluoreneByWt is 2 aromatic rings with a naphthenic ring between
(fluorene) content using mass blend.

HydroArom-2A2NByWt
HydroArom-2A2NByWt is calculated 2 aromatic rings with 2 naphthenic rings
content using mass blend.

HydroArom-2A2+NByWt
HydroArom-2A2+NByWt is calculated Over 4 Aromatic/Naphthenic 2/2 Rings
content using mass blend.

HydroArom-3A1+NByWt
HydroArom-3A1+NByWt is calculated Over 4 Aromatic/Naphthenic 3/1 Rings
content using mass blend.

HydroArom-3A1NByWt
HydroArom-3A1NByWt is calculated 3 aromatic rings with 1 naphthenic ring con-
tent using mass blend.

HydroArom-3+AByWt
HydroArom-3+AByWt is calculated Over 3 Aromatic/Naphthenic 3/0 Rings con-
tent using mass blend.

NeutralNitrogen-0A0NByWt
NeutralNitrogen-0A0NByWt is calculated Neutral nitrogen ring content using
mass blend.

NeutralNitrogen-1AByWt
NeutralNitrogen-1AByWt is calculated Neutral nitrogen ring with 1 aromatic
ring content using mass blend..

NeutralNitrogen-2AByWt

9 Property Calculations 177


NeutralNitrogen-2AByWt is calculated Neutral nitrogen ring with 2 aromatic
rings content using mass blend.

NeutralNitrogen-3AByWt
NeutralNitrogen-3AByWt is calculated Neutral nitrogen ring with 3 aromatic
rings content using mass blend.

NeutralNitrogen-1NByWt
NeutralNitrogen-1NByWt is calculated Neutral nitrogen ring with 1 naphthenic
ring content using mass blend.

NeutralNitrogen-2NByWt
NeutralNitrogen-2NByWt is calculated Neutral nitrogen ring with 2 naphthenic
rings content using mass blend.

NeutralNitrogen-3NByWt
NeutralNitrogen-3NByWt is calculated Neutral nitrogen ring with 3 naphthenic
rings content using mass blend.

NeutralNitrogen-1A1NByWt
NeutralNitrogen-1A1NByWt is calculated Neutral nitrogen ring with 1 aromatic
ring with 1 naphthenic content using mass blend.

NeutralNitrogen-2A1NByWt
NeutralNitrogen-2A1NByWt is calculated Neutral nitrogen ring with 2 aromatic
ring with 1 naphthenic content using mass blend.

NeutralNitrogen-1A2NByWt
NeutralNitrogen-1A2NByWt is calculated Neutral nitrogen ring with 1 aromatic
ring with 2 naphthenic content using mass blend.

NeutralNitrogen-2A1+NByWt
NeutralNitrogen-2A1+NByWt is calculated Neutral nitrogen ring with 2 aromatic
ring with over 1 naphthenic content using mass blend.

NeutralNitrogen-1A2+NByWt

178 9 Property Calculations


NeutralNitrogen-1A2+NByWt is calculated Neutral nitrogen ring with 1 aromatic
ring with over 2 naphthenic content using mass blend.

NeutralNitrogen-3+AByWt
NeutralNitrogen-3+AByWt is calculated Neutral nitrogen ring with over 3 aro-
matic rings content using mass blend.

NeutralNitrogen-0A3+NByWt
NeutralNitrogen-0A3+NByWt is calculated Neutral nitrogen ring with no aro-
matics and over 3 naphthenic rings content using mass blend.

BasicNitrogenRing-0A0NByWt
BasicNitrogenRing-0A0NByWt is calculated Basic nitrogen ring content using
mass blend.

BasicNitrogenRing-0A3+NByWt
BasicNitrogenRing-0A3+NByWt is calculated Basic nitrogen ring with no aro-
matics and over 3 naphthenic rings content using mass blend.

BasicNitrogenRing-1AByWt
BasicNitrogenRing-1AByWt is calculated Basic nitrogen ring with 1 aromatic
ring content using mass blend.

BasicNitrogenRing-1A1NByWt
BasicNitrogenRing-1A1NByWt is calculated Basic nitrogen ring with 1 aromatic
and 1 naphthenic ring content using mass blend.

BasicNitrogenRing-1A2NByWt
BasicNitrogenRing-1A2NByWt is calculated Basic nitrogen ring with 1 aromatic
rings and 2 naphthenic ring content using mass blend.

BasicNitrogenRing-1A2+NByWt
BasicNitrogenRing-1A2+NByWt is calculated Basic nitrogen ring with 1 aro-
matic rings and over 2 naphthenic ring content using mass blend.

BasicNitrogenRing-2AByWt

9 Property Calculations 179


BasicNitrogenRing-2AByWt is calculated Basic nitrogen ring with 2 aromatic
rings content using mass blend.

BasicNitrogenRing-2A1NByWt
BasicNitrogenRing-2A1NByWt is calculated Basic nitrogen ring with 2 aromatic
rings and 1 naphthenic ring content using mass blend.

BasicNitrogenRing-2A1+NByWt
BasicNitrogenRing-2A1+NByWt is calculated Basic nitrogen ring with 2 aro-
matic rings and over 1 naphthenic ring content using mass blend.

BasicNitrogenRing-3AByWt
BasicNitrogenRing-3AByWt is calculated Basic nitrogen ring with 3 aromatic
rings content using mass blend.

BasicNitrogenRing-3+AByWt
BasicNitrogenRing-3+AByWt is calculated Basic nitrogen ring with over 3 aro-
matic rings content using mass blend.

BasicNitrogenRing-1NByWt
BasicNitrogenRing-1NByWt is calculated Basic nitrogen ring with 1 naphthenic
ring content using mass blend.

BasicNitrogenRing-2NByWt
BasicNitrogenRing-2NByWt is calculated Basic nitrogen ring with 2 naphthenic
rings content using mass blend.

BasicNitrogenRing-3NByWt
BasicNitrogenRing-3NByWt is calculated Basic nitrogen ring with 3 naphthenic
rings content using mass blend.

Thiophenes-0A0NByWt
Thiophenes-0A0NByWt is calculated Thiophene ring content using mass blend.

Thiophenes-0A3+NByWt
Thiophenes-0A3+NByWt is calculated Thiophene ring with no aromatics and
over 3 naphthenic rings content using mass blend.

180 9 Property Calculations


Thiophenes-1AByWt
Thiophenes-1AByWt is calculated Thiophene ring with 1 aromatic ring content
using mass blend.

Thiophenes-1A1NByWt
Thiophenes-1A1NByWt is calculated Thiophene ring with 1 aromatic and 1 naph-
thenic ring content using mass blend.

Thiophenes-1A2NByWt
Thiophenes-1A2NByWt is calculated Thiophene ring with 1 aromatic and 2 naph-
thenic ring content using mass blend.

Thiophenes-1A2+NByWt
Thiophenes-1A2+NByWt is calculated Thiophene ring with 1 aromatic and over
2 naphthenic ring content using mass blend.

Thiophenes-1NByWt
Thiophenes-1NByWt is calculated Thiophene ring with 1 naphthenic ring content
using mass blend.

Thiophenes-2AByWt
Thiophenes-2AByWt is calculated Thiophene ring with 2 aromatic rings content
using mass blend.

Thiophenes-2A1NByWt
Thiophenes-2A1NByWt is calculated Thiophene ring with 2 aromatic and 1 naph-
thenic ring content using mass blend.

Thiophenes-2A1+NByWt
Thiophenes-2A1+NByWt is calculated Thiophene ring with 2 aromatic and over
1 naphthenic ring content using mass blend.

Thiophenes-2NByWt
Thiophenes-2NByWt is calculated Thiophene ring with 2 naphthenic rings con-
tent using mass blend.

Thiophenes-3AByWt

9 Property Calculations 181


Thiophenes-3AByWt is calculated Thiophene ring with 3 aromatic rings content
using mass blend.

Thiophenes-3NByWt
Thiophenes-3NByWt is calculated Thiophene ring with 3 naphthenic rings con-
tent using mass blend.

Thiophenes-3+AByWt
Thiophenes-3+AByWt is calculated Thiophene ring with over 3 aromatic content
using mass blend.

AromaticCarbon_Ca
AromaticCarbon_Ca is calculated Aromatic Carbon Number.

NaphthenicCarbon_Cn
NaphthenicCarbon_Cn is calculated Naphthenic Carbon Number.

Carbon by Weight
The carbon by weight is calculated using mass blend.

Other Properties
The Other group properties include the following:

l TotalAcidNumber
l BromineNumber
l WaxContent
l C5Mass
l C5Vol
l CuStripCorrosion
l Color
l GrossHeatingValue
l NetHeatingValue
No correlations are available to empirically estimate the above properties. If
input data is available, the input data will be curve fitted to best represent the
available input data. At least three data points must be available.

l AnilinePoint
l AnilineGravityProduct

182 9 Property Calculations


l AromaticityFactor
l N+2A
l N+A
l VABP
l WABP
l WatsonK

AnilinePoint
Aniline point can be estimated by an empirical correlation.

AnilineGravityProduct
AnilineGravityProduct is calculated by AnilinePoint (F) * API.

AromaticityFactor
Aromaticity Factor can be estimated by an empirical correlation.

N+2A
This property is calculated directly from Naphthenes content (N) and Aromatics
content (A) on a volume basis.

N+A
This property is calculated directly from Naphthenes content (N) and Aromatics
content (A) on a volume basis.

VABP
VABP is volume average boiling point. It is calculated using the following for-
mula:

VABP = Σ(Xvol*TB)

Where:

l Xvol = Volume Fraction of pseudo component (microcut)


l TB = Normal boiling point of pseudo component (microcut)

WABP
WABP is weight average boiling point. It is calculated using the following for-
mula:

WABP = Σ(Xwt*TB)

9 Property Calculations 183


Where:

l Xwt = Weight Fraction of pseudo component (microcut)


l TB = Normal boiling point of pseudo component (microcut)

WatsonK
Watson K factor is calculated using its definition:
3 MeABP
Watson K =
SG
MABP + CABP
MeABP =
2

MABP = ΣFmi × TB i
3
CABP = Σ(Fvi × 3 TB i )
Where:

l MeABP = Mean Average Boiling Point, ° Rankine


l MABP = Molar Average Boiling Point, ° Rankine
l MeABP = Mean Average Boiling Point, ° Rankine
l CABP = Cubic Average Boiling Point, ° Rankine
l F = Mole Fraction of Component i
mi
l F = Volume Fraction of Component i
vi

Contaminants Group Properties


Contaminants are estimated using the following method:

l If input data is available, it will be curve fitted to best represent the avail-
able input data. There must be at least 3 data points.
l If input data is not available (or<3 points), the system will check if the
bulk value is available or not. If it is, it will be used directly (see next
steps). If not, the system will estimate it using information based on
country and region of the assay.
l Use a statistical method to estimate property of microcuts such that the
calculated bulk value matches as closely as possible to the bulk value cal-
culated in step 3.
The contaminant group properties include the following:

l AsphalteneByWt
l BasicNitrogenByWt

184 9 Property Calculations


l ConradsonCarbonByWt
l CopperByWt
l NickelByWt
l NitrogenByWt
l SulfurByWt
l MercaptanSulfurByWt
l SodiumByWt
l SulfideByWt
l VanadiumByWt
l IronByWt
l ZincByWt
l ChromiumByWt
l LeadByWt
l AluminiumByWt
l MagnesiumByWt
l MetalByWt
l NaclByWt
l SaltByWt
l MudByWt
l ChloridesByWt
l MolybdenumByWt
l AshByWt
l GumByWt
l nC7ByWt
l MicroCarbonResidueByWt
l nC5InsolublesByWt
l NapththenicAcidByWt
l NapththenicAcidByVol
l TinByWt
l RamsCarbonResidueByWt
l ArsenicByWt
l CadmiumByWt
l MercuryByWt
All the contaminant properties are estimated using the method described
above.

Yields Group Properties


The Yields group properties are defined by the materials within the specified
temperature range, either by weight or by volume.

9 Property Calculations 185


The properties in the Yields group are as follows:

l CutYieldByWt: Values specified should sum to 100%.


l CutYieldByVol: Values specified should sum to 100%.
l CutYieldByMol: Values specified should sum to 100%.
l CumulativeYieldByWt: Final value specified should equal 100. To add
this property, go to the Assays Summary form; right-click and select
Add Cut Property.
l CumulativeYieldByVol: Final value specified should equal 100. To add
this property, go to the Assays Summary form; right-click and select
Add Cut Property.

References
1. Twu, C. H., "An Internally Consistent Correlation for Predicting the Crit-
ical Properties and Molecular Weights of Petroleum and Coal-Tar
Liquids," Fluid Phase Equilibria, 16, Page 137 (1984).
2. Auckland, M.H.T., and Charnock, D.J., "The Development of Linear Blend-
ing Indices for Petroleum Properties," J. Institute Petroleum, Vol. 55,
No. 545 (September 1969), Page 332-329.
3. Healy, W.C., Maassen, C.W., and Peterson, R.T., "A New Approach to
Blending Octanes," API Midyear Meeting, Division of Refining, New York
(May 27, 1959).
4. Crude Name: Sample Assay PTI Assay IF: SMP.01.2002, 2003, Spe-
cializing In Crude Assay Information, PetroTech intel, viewed: 21 April
2006, http://www.petrotechintel.com/pti.data/components/std_
assay.pdf.
5. Technical Data Book: Petroleum Refining, American Petroleum Institute,
Vol 1 - III, May 1985.
6. Albahri, T.A., Riazi, M.R., and Algattan, A.A., 2003, “Analysis of Quality
of Petroleum Fuels,” Energy & Fuels, Vol. 17, No. 3, Page. 689-693.
7. Strategic Petroleum Reserve Crude Oil Assay Manual, 2nd ed., Strategic
Petroleum Reserve Crude Oil Assays, U.S. Department of Energy, Assist-
ant Secretary for Fossil Energy Strategic Petroleum Reserve Headquar-
ters, viewed: 21 April 2006,
http://www.spr.doe.gov/reports/docs/crudeoilassaymanual.pdf
8. Riazi, Mohammad R., and Roomi, Yousef A., 2001, “Use of Refractive
Index in the Estimation of Thermophysical Properties of Hydrocarbons
and Petroleum Mixtures," Ind. Eng. Chem. Res., Vol. 40, No. 8, Page
1975-1984.
9. Technical Data Book: Petroleum Refining, American Petroleum Institute,
Vol 1 - III, May 1985.
10. Oyekunle, L. O. And Omatsone, O. O., 2007, "Mathematical Modelling of
the Rheological Properties of Petroleum Bitumens," Petroleum Science

186 9 Property Calculations


and Technology.
11. Abushihada, A. M, and Al-Farkh, Y., 1979, "A Mathematical Model Relat-
ing Softening Point to Penetration Applicable to A Wide Range of Road
Asphalts," Ind. Eng. Chem. Res. Dev. Vol. 18, Page 230-232.
12. Hu, J., and Burns, A.B., “New Method Predicts Cloud, Pour, Flash Points
of Distillate Blends,” Hydrocarbon Processing, Vol. 49, No. 11 (Novem-
ber 1970), Page 213-216.
13. “31.0 API Iranian Heavy Crude Oil”, Chevron Oil Trading Company, 1971.
14. Fasullo, P.A., “Rvp Reductions Would Harm U.S. Gas-Processing
Industry,” Oil Gas Journal, Vol. 86, No. 5 (February 1, 1988), Page. 51-
56.
15. Stewart, W.E., “More About Figuring RVP of Blends,” Petroleum Refiner,
Vol. 40, No. 10 (October 1960), Page. 109.
16. Stewart, W. E., “Predict RVP of Blends Accurately,” Petroleum Refiner,
Vol. 38, No. 6 (June 1959), Page 231.
17. Aspen Physical Property System 12.1 Physical Property Data, AspenTech
Support, Aspen Technology Inc., viewed: 21 April 2006,
https://sup-
port.as-
pentech.com/CustomerSupport/Documents/Engineering/AES%2012.1%20Product%20
Docu-
men-
tation/AprSystem%2012.1/APRSYS%20121%20Physical%20Property%20Data.pdf

9 Property Calculations 187


188 9 Property Calculations
Index
modify temperatures 30
A print plots 34
relocate guide points 26
Add Assay dialog box 82 remove guide points 27
Add Assay to Custom Library dialog select yield value 33
box 83 select assays 28
Add Cuts dialog box 83 select classes 35
adding select compound class 35
assay cuts 41, 45, 51 select lables 31
assay properties 43 select segments 35
assays 5 select Y-axis property 28
cut properties 13 show curves 34
cuts 32 show data match 61
distillation percent 52 show guide points 25
guide points 25 show input data 33
properties 38, 141-142 specify charts 30
pure components 47 specify distillation plot 32
texts 31 specify grid lines 30
advanced settings 47 specify value ranges 30
AnilineGravityProduct 183 zoom plots 34
AnilinePoint 183 assay cuts
Annotation Editor dialog box 84 define 41, 45, 51
Arom-1RingByWt 175 modify 42, 46, 52
Arom-2RingByWt 175 assay data
Arom-3RingByWt 175 enter 7, 44, 49, 53
Arom-4+RingByWt 175 assay library 10
Arom-4RingByWt 175 assay properties
AromaticCarbon_Ca 182 define 43
AromaticityFactor 183 modify 43
Aromatics by Volume 174 select 43
Aromatics by Weight 174 Assay Properties Summary form 63
arranging plot layout 27 Description tab 37
add texts 31 Details tab 38
check guide points 26 generate plots 55
copy plots 34 assays
define cuts 32 add 5
define data source 36 characterize 113-114, 118-119
display %Volume X-Axis 60 copy 12
edit guide points 25 download 12
edit plot legends 31 enter 7
flip coordinates 31

Index 189
export 13 properties 157
import 5-6 PONA and Composition
select to plot 28 properties 171
Centroid Boiling Point 158
B Cetane Index 167
Cetane Number 164
BackBlending form 72
changing property methods 120
Heavy Streams tab 73
characterization results
Light Streams tab 73
improve 120
BasicNitrogenRing-0A0NByWt 179
characterizing 113
BasicNitrogenRing-0A3+NByWt 179
flash assay characterization 119
BasicNitrogenRing-1A1NByWt 179
from Input Assay form 117
BasicNitrogenRing-1A2+NByWt 179
from Navigation Pane 115
BasicNitrogenRing-1A2NByWt 179
from Summary Form 116
BasicNitrogenRing-1AByWt 179
molecular characterization 121
BasicNitrogenRing-1NByWt 180
checking guide points 26
BasicNitrogenRing-2A1+NByWt 180
Cloud Filter Plug Point 169
BasicNitrogenRing-2A1NByWt 180
Cloud Point 169
BasicNitrogenRing-2AByWt 179
Cloud Point Index 165
BasicNitrogenRing-2NByWt 180
Cold properties 168
BasicNitrogenRing-3+AByWt 180
Cloud Filter Plug Point 169
BasicNitrogenRing-3AByWt 180
Cloud Point 169
BasicNitrogenRing-3NByWt 180
Freeze Point 168
Build Assay Library Offline Complete
Penetration 170
dialog box 85 Pour Point 169
Burning Characteristic properties 162 Softening Point 169
Cetane Number 164 completing
DON Clear 163 Description tab 37
DON Leaded 164 Details tab 38
Luminometer Number 164 Distillation Data tab 50
MON Clear 162 Heavy Streams tab 73
MON Leaded 164 Input Summary tab 41
RON Clear 163 Light Streams tab 73
RON Leaded 163 Pure Component tab 44
Smoke Point 164 component library
pure components 144
C Component Manager form 66
C to H Ratio by Weight 175 components
calculating property 157 pure components 144
Burning Characteristic Contaminants Group properties 184
properties 162 Context Menu Options 108
Cold properties 168 Forms 109
Contaminants Group Plots 111
Tabs 108
properties 184
Conventional Characterization 114
Flammability properties 170
Conventional Results/Molecular Res-
Index properties 164
Other properties 182 ults form 65
Petroleum properties 159 generate plots 55
Physical and Transport copying assays 12

190 Index
copying plots 34 plete dialog box 85
creating Cut Property dialog box 85
assay cuts 41, 45, 51 Define Cut dialog box 87
assays 5 Display Assay Description dialog
CsubA by Weight 175 box 87
CsubN by Weight 175 Edit Formula Panel 88
CsubP by Weight 175 Edit Property Distribution Para-
cut properties meters for AssayName dialog
add 13 box 48
define 13 Edit User Defined Methods dialog
modify 13 box 89
Cut Properties plot 20 Flash Assay Data for Whole Crude
Cut Property dialog box 85 dialog box 91
Cut Viscosities plot 24 Guide Point Table dialog box 92
generate 60 Import Assay Data from Files dia-
Cut Yields plot 20 log box 93
generate 56 Migrate Custom Library dialog
cuts
box 94
add 32
Modify Temperature dialog box 95
New Assay dialog box 95
D New Property dialog box 97
data regression setup Options dialog box 99
enable 128 Property Details dialog box 99
specify Data Setup tab 131 Property Pop-up Window 101
Data Setup tab 78, 131 Regression Specification Pop-up
Define Cut dialog box 87 Window 102
defining Run Regression dialog box 103
assay cuts 41, 45, 51 Search Profile dialog box 104
assay properties 42 Select Assays dialog box 105
cut properties 13 Select Classes dialog box 105
cuts 32 Select Property dialog box 106
data source 36 Temperature Range dialog box 107
distillation percent 52 Diesel Index 166
pure components 46 Display Assay Description dialog
deleting box 87
guide points 27 displaying
properties 39 %Volume X-Axis 60
Description tab 37 properties 39-40
Details tab 38 displaying assay descriptions 11
display properties 39-40 Distillation Data tab 50
modify properties 38 define assay cuts 51
Dialog Boxes 81 specify distillation percent 52
Add Assays dialog box 82 distillation percent
Add Assays to Custom Library dia- insert 52
log box 83 modify 53
Add Cuts dialog box 83 specify 52
Annotation Editor dialog box 84 Distillations plot 19
Build Assay Library Offline Com- generate 55
DON Clear 163

Index 191
DON Leaded 164 Download Assays form 67
Download Assays form 67 Input Assay form 70
downloading assays 12 Molecular Methods form 74
Dynamic and Kinematic Viscosity @ X Petroleum Assays form 68
C 159 Property Manager form 80
Freeze Point 168
E Freeze Point Index 168

Edit Formula Panel 88


G
Edit Property Distribution Parameters
for AssayName dialog box 48 generating plots 14, 55
Edit User Defined Methods dialog Cut Properties plot 15
box 89 Cut Viscosities plot 17, 60
editing Cut Yields plot 16, 56
guide points 25 Distillations plot 15, 55
methods 143 MC Property Profile plot 17, 57
plot legends 31 Molecule Distribution plot 18, 57
properties 142 PNA plot 16, 58
enabling data regression 128 Properties plot 58
entering Residual plot 18, 59
assay data 7, 44, 49, 53 Segment Probability Distribution
evaluating molecular profile 123 plot 59
modify profile parameters 124, Viscosities plot 15, 56
127 guide points 120
run evaluation 125 add 25
select a profile 123, 126 check 26
exporting edit 25
assays 13 relocate 26
properties 143 remove 27
show 25
F Guide Points Table dialog box 92

Flamability properties 170 H


Flash Point 170
Reid Vapor Pressure 170 Healy blend for RON and MON 161
True Vapor Pressure 171 Heavey Streams tab 73
flash assay characterization 119 HydroArom-1A1NByWt 176
Flash Assay Data for Whole Crude dia- HydroArom-1A2NByWt 176
log box 91 HydroArom-1A3+NByWt 176
Flash Point 170 HydroArom-1A3NByWt 176
Flash Point Index 166 HydroArom-2A2+NByWt 177
flipping coordinates 31 HydroArom-2A2NByWt 177
Forms 63, 109 HydroArom-3+AByWt 177
Assay Properties Summary HydroArom-3A1+NByWt 177
form 63 HydroArom-3A1NByWt 177
BackBlending form 72 HydroArom-Naphthalene1NByWt 176
Component Manager form 66 Hydrogen by Weight 174
Conventional Results/Molecular Res- HydromArom-FluoreneByWt 177
ults form 65

192 Index
I Migrate Custom Library dialog box 94
Modify Temperature dialog box 95
Import Assay Data from Files dialog
modifying
box 93
assay cuts 42, 46, 52
importing
assay properties 43
assays 5-6
cut properties 13
improving characterization
distillation percent 53
results 120
profile parameters 124, 127
change property methods 120
properties 38
use guide points 120
pure components 47
Index blend 160
temperatures 29
Index properties 164
Mole blend 160
Cetane Index 167
molecular characterization 121
Cloud Point Index 165
Molecular Methods form 74
Diesel Index 166
Data Setup tab 78
Flash Point Index 166
Residuals and Summaries tab 80
Freeze Point Index 168
molecular profile 123, 125
Penetration Index 166
modify 124, 127
Pour Point Index 166
regression 134-135
Refractive Index 166
select 123, 126
RVP Index 165
Molecular Weight 159
Smoke Point Index 168
Molecule Distribution plot 21
Viscosity Index 165
generate 18
Input Assay form 70
MON Clear 162
characterize assays 117
MON Leaded 164
Distillation Data tab 50
generate plots 55
N
Input Summary tab 41
Pure Component tab 44 N+2A 183
Input Summary tab 41 N+A 183
define assay cuts 41 Naphthenes-1RingByWt 176
define assay properties 42 Naphthenes-2RingByWt 176
inserting Naphthenes-3RingByWt 176
distillation percent 52 Naphthenes-4+RingByWt 176
Naphthenes-4RingbyWt 176
L Naphthenes by Volume 174
Naphthenes by Weight 174
libraries
NaphthenicCarbon_Cn 182
assay libraries 10
NeutralNitrogen-0A0NByWt 177
property library 141
NeutralNitrogen-0A3+NByWt 179
Light Streams tab 73
NeutralNitrogen-1A1NByWt 178
Liquid Density @ X C 159
NeutralNitrogen-1A2+NByWt 178
Luminometer Number 164
NeutralNitrogen-1A2NByWt 178
NeutralNitrogen-1AByWt 177
M NeutralNitrogen-1NByWt 178
Mass blend 160 NeutralNitrogen-2A1+NByWt 178
MC Property Profile plot 21 NeutralNitrogen-2A1NByWt 178
methods NeutralNitrogen-2AByWt 177
edit 143 NeutralNitrogen-2NByWt 178
NeutralNitrogen-3+AByWt 179

Index 193
NeutralNitrogen-3AByWt 178 plot layout arrangement 27
NeutralNitrogen-3NByWt 178 add texts 31
New Assay dialog box 95 check guide points 26
New Property dialog box 97 copy plots 34
define data source 36
O display %Volume X-Axis 60
edit guide points 25
optimizing molecular profile 125 edit plot legends 31
modify profile parameters 124, flip coordinates 31
127 modify temperatures 30
run data regression 134 print plots 34
select a profile 123, 126 relocate guide points 26
setup data regression 128, 131 remove guide points 27
Options dialog box 99 select assays 28
Other properties 182 select classes 35
AnilineGravityProduct 183 select compound class 35
AnilinePoint 183 select labels 31
AromaticityFactor 183 select segments 35
N+2A 183 select Y-axis property 28
N+A 183 select yield value 33
VABP 183 show curves 34
WABP 183 show data match 61
WatsonK 184 show guide points 25
show input data 33
P specify charts 30
Paraffins by Volume 174 specify distillation type 32
Paraffins by Weight 174 specify grid lines 30
Penetration 170 specify value ranges 30
Penetration Index 166 zoom plots 34
Petroleum Assays form 68 Plots 111
define cut properties 13 copy 34
display assay descriptions 11 Cut Properties plot 20
generate plots 15 Cut Viscosities plot 24
Petroleum properties 159 Cut Yields plot 20
Healy blend for RON and MON 161 Distillations plot 19
Index blend 160 MC Property Profile plot 21
Mass blend 160 Molecule Distribution plot 21
Mole blend 160 PNA/MC PNA plot 21
Volume blend 160 print 34
Physical and Transport Properties plot 23
Residual plot 24
properties 157
Segment Probability Distribution
Centroid Boiling Point 158
Dynamic and Kinematic Viscosity @ plot 24
Viscosities plot 20
X C 159
zoom 34
Liquid Density @ X C 159
PNA/MC PNA plot 21
Molecular Weight 159
generate 58
Specific Volume 159
Standard Liquid Density 158

194 Index
PONA and Composition Naphthenes by Volume 174
properties 171 Naphthenes by Weight 174
Arom-1RingByWt 175 NaphthenicCarbon_Cn 182
Arom-2RingByWt 175 NeutralNitrogen-0A0NByWt 177
Arom-3RingByWt 175 NeutralNitrogen-0A3+NByWt 179
Arom-4+RingByWt 175 NeutralNitrogen-1A1NByWt 178
Arom-4RingByWt 175 NeutralNitrogen-1A2+NByWt 178
AromaticCarbon_Ca 182 NeutralNitrogen-1A2NByWt 178
Aromatics by Volume 174 NeutralNitrogen-1AByWt 177
Aromatics by Weight 174 NeutralNitrogen-1NByWt 178
BasicNitrogenRing-0A0NByWt 179 NeutralNitrogen-2A1+NByWt 178
BasicNitrogenRing- NeutralNitrogen-2A1NByWt 178
0A3+NByWt 179 NeutralNitrogen-2AByWt 177
BasicNitrogenRing-1A1NByWt 179 NeutralNitrogen-2NByWt 178
BasicNitrogenRing- NeutralNitrogen-3+AByWt 179
1A2+NByWt 179 NeutralNitrogen-3AByWt 178
BasicNitrogenRing-1A2NByWt 179 NeutralNitrogen-3NByWt 178
BasicNitrogenRing-1AByWt 179 Paraffins by Volume 174
BasicNitrogenRing-1NByWt 180 Paraffins by Weight 174
BasicNitrogenRing- Resins by Volume 174
2A1+NByWt 180 Resins by Weight 174
BasicNitrogenRing-2A1NByWt 180 Saturates by Volume 174
BasicNitrogenRing-2AByWt 179 Saturates by Weight 174
BasicNitrogenRing-2NByWt 180 Thiophenes-0A0NByWt 180
BasicNitrogenRing-3+AByWt 180 Thiophenes-0A3+NByWt 180
BasicNitrogenRing-3AByWt 180 Thiophenes-1A1NByWt 181
BasicNitrogenRing-3NByWt 180 Thiophenes-1A2+NByWt 181
C To H Ratio by Weight 175 Thiophenes-1A2NByWt 181
CsubA by Weight 175 Thiophenes-1AByWt 181
CsubN by Weight 175 Thiophenes-1NByWt 181
CsubP by Weight 175 Thiophenes-2A1+NByWt 181
HydroArom-1A1NByWt 176 Thiophenes-2A1NByWt 181
HydroArom-1A2NByWt 176 Thiophenes-2AByWt 181
HydroArom-1A3+NByWt 176 Thiophenes-2NByWt 181
HydroArom-1A3NByWt 176 Thiophenes-3+AByWt 182
HydroArom-2A2+NByWt 177 Thiophenes-3AByWt 181
HydroArom-2A2NByWt 177 Thiophenes-3NByWt 182
HydroArom-3+AByWt 177 Thiophenes by Volume 175
HydroArom-3A1+NByWt 177 Thiophenes by Weight 175
HydroArom-3A1NByWt 177 Pour Point 169
HydroArom-FluoreneByWt 177 Pour Point Index 166
HydroArom- printing plots 34
Naphthalene1NByWt 176 properties
Hydrogen by Weight 174 add 38, 141-142
Naphthenes-1RingByWt 176 Burning Characteristic 162
Naphthenes-2RingByWt 176 calculate 157
Naphthenes-3RingByWt 176 Cold 168
Naphthenes-4+RingByWt 176 Contaminants Group 184
Naphthenes-4RingByWt 176 display 39-40

Index 195
edit 142 Regression Specification Pop-up Win-
export 143 dow 102
Flamability 170 Reid Vapor Pressure 170
Index 164 relocating guide points 26
modify 38 removing
Other 182 assay cuts 42, 46, 52
Petroleum 159 assay properties 43
Physical and Transport 157 cut properties 14
PONA and Composition 171 distillation percent 53
select for Y-axis 28 guide points 27
Properties plot 23 properties 39
generate 58 pure components 47
property calculation 157 Residual plot 24
Burning Characteristic generate 18, 59
properties 162 Residuals and Summaries tab 80
Cold properties 168 Resins by Volume 174
Contaminants Group Resins by Weight 174
properties 184 RON Clear 163
Flamability properties 170 RON Leaded 163
Index properties 164 Run Regression dialog box 103
Other properties 182 running an evaluation 125
Petroleum properties 159 running data regression 134-135
Physical and Transpoort RVP Index 165
properties 157
PONA and Composition S
properties 171
Saturates by Volume 174
Property Details dialog box 99
Saturates by Weight 174
Property Group Table 147
saving
property library 141
molecular profile 135
add properties 141-142
Search Profile dialog box 104
edit methods 143
Segment Probability Distribution
edit properties 142
plot 24
export properties 143
generate 60
Property Manager form 80
Select Assay dialog box 105
Property Pop-up Window 101
Select Class dialog box 105
Pure Component tab 44
Select Property dialog box 106
define assay cuts 45
selecting
define pure components 46
assay properteis 43
specify advanced settings 47
assays 28
pure components 144
classes 35
define 46
compound class 35
modify 47
labels 31
select 47
molecular profile 123, 126
specify 47
properties 38
pure components 47
R segments 35
References 186 Y-axis property 28
Refractive Index 166 yield value 33

196 Index
setting up data regression Thiophenes by Weight 175
enable data regression 128 True Vapor Pressure 171
specify Data Setup tab 131
showing U
curves 34
data match 61 user interface
guide poins 25 Context Menu Options 108
input data 33 Dialog Boxes 81
Smoke Point 164 Forms 63
Smoke Point Index 168 using
Softening Point 169 guide points 120
Specific Volume 159
specifying V
advanced settings 47 VABP 183
charts 30 Viscosities plot 20
Data Setup tab 131 generate 56
distillation percent 52 Viscosity Index 165
distillation type 32 Volume blend 160
grid lines 30
value ranges 30
W
Standard Liquid Density 158
WABP 183
T WatsonK 184
working with
tabs 108 Assay Properties Summary
Data Setup tab 78, 131 form 37
Description tab 37 Assays Summary form 11
Details tab 38 Conventional Result/Molecular Res-
Distillation Data tab 50
ults form 54
Heavy Streams tab 73
individual assay 37
Input Summary tab 41
Input Assay form 40
Light Streams tab 73
Pure Component tab 44
Z
Residuals and Summaries tab 80
Temperature Range dialog box 107 zooming plots 34
Thiophenes-0A0NByWt 180
Thiophenes-0A3+NByWt 180
Thiophenes-1A1NByWt 181
Thiophenes-1A2+NByWt 181
Thiophenes-1A2NByWt 181
Thiophenes-1AByWt 181
Thiophenes-1NByWt 181
Thiophenes-2A1+NByWt 181
Thiophenes-2A1NByWt 181
Thiophenes-2AByWt 181
Thiophenes-2NByWt 181
Thiophenes-3+AByWt 182
Thiophenes-3AByWt 181
Thiophenes-3NByWt 182
Thiophenes by Volume 175

Index 197

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