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Petroleum Refining
Reference Guide
Version Number: V8.8
May 2015
Copyright (c) 1981-2015 by Aspen Technology, Inc. All rights reserved.
Aspen HYSYS, Aspen HYSYS Petroleum Refining, Aspen Properties, Aspen COMThermo, Aspen Assay Management,
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Contents iii
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
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
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
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
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
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.
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.
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.
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.
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.
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.
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.
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.
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.
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:
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
K = Kelvin g/cm3 = gram per cubic cen- lb/ft3 = pound per cubic
timeter foot
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
2 Adding Assays 9
ft3/day = cubic feet per in = inch miles = mile
day
ft/s = feet per second MPH = miles per hour seconds = second
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.
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.
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:
Copying Assays
You can copy an assay or assays in the Petroleum Assay view Assay Sum-
maries field.
To copy assays:
To export assays:
You can define which cut properties appear on the Petroleum Assays form
by:
Generating Plots
From the Petroleum Assays form, you can generate the following plots for
the characterized assays:
l MC PNA plot
l MC Property Profile plot
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.
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.
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.
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.
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.
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.
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.
The Plot Gallery of the Assay Management ribbon contains the following
plot types:
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.
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.
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.
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.
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.
In the coordinate system, the Y axis represents one of the following elements:
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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:
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
Note: The Basis drop-down list is only available to the Distillations and PNA plot.
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.
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.
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%.
Purpose
Select the compound class for which the Segment Probability Distribution
plot is generated.
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.
Selecting Classes
Purpose
Specify the plot type and the information displayed on the X and Y axis in the
Molecule Distribution plot and MC PNA plot.
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.
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:
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.
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 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.
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.
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.
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.
Perform the following steps to complete the information on the Input Sum-
mary 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.
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.
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.
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.
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.
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.
The Basis (%) is a default element in the Pure Component form that cannot
be modified or removed. The Basis (%) has two options:
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.
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.
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.
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.
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.
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.
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.
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.
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.
Purpose
The Edit Property Distribution Parameters for AssayName dialog box is
used to specify maximum boiling point and standard deviation values for
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.
All the data that you entered will be used in characterizing the assay.
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:
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.
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.
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.
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.
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
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.
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.
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.
Click the Conventional Results or Molecular Results node to open the cor-
responding form in the data browser.
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.
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.
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.
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.
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.
1. Click the Molecular Methods node of the desired assay to open the
Molecular Methods form in the data browser.
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.
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.
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.
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.
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.
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.
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.
l Forms
l Dialog boxes
l Context menu options
Forms Overview
The following forms are available in Assay Management:
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:
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.
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.
l Select the Properties tab and click the Petroleum Assays node.
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.
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.
The Basis (%) is a default element in the Light Stream form that cannot be
modified or removed. The Basis (%) has three options:
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.
Note: For assays from built-in assay libraries, the Molecular Methods form/node can be
available only after you change assay input data.
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.
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 assay without oil field, country or region information, a default profile, Ini-
tial Profile.prof, is selected by the system.
Hide or expand the lines under the Nitrogen Molecules and/or Oxy-
gen Molecules segments in the Molecular Specification table.
l Click Add | Import from Library from the drop down list at the bot-
tom of the Assay Summary form.
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.
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.
Only one cut can be defined in the Define Cut dialog box.
l Include
Check boxes for you to select which assay descriptions should be dis-
played in the Petroleum Assays form.
To access the Flash Assay Data for Whole Crude dialog box:
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.
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.
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
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.
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.
l OK
Confirm and migrate the selected customized library.
l Cancel
Revert the changes and exit the Migrate Custom Library
dialog box.
Note: The Modify Temperature dialog box is only available to the Viscosities plot.
l On the Assay Management ribbon, click the New Assay label, and
then select Manually Enter from the sub-menu.
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.
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
The supported math functions include square root (sqrt), absolute (abs), nat-
ural log (ln), log base 10 (lg) and exponential (exp and ^).
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
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.
Launch the online help topic for the selected property in the Property
pop-up window.
Revert any settings and exit the Regression Specification pop-up win-
dow.
Note: Only assays which have been added in the Properties environment are available
for selection.
Note: The Temperature Range dialog box is only available to the Cut Viscosities plot.
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
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.
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%.
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.
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:
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.
Molecular Method
Note: When using the molecular characterization, the Characterization button is not
activated until a molecular profile is selected.
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.
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.
You can save the characterization results by clicking on the tool bar.
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
For the properties molecular characterization does not support, the con-
ventional methods is used to calculate those properties.
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-
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.
Performing Flash Assay Characterization
To perform the flash assay characterization:
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.
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 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:
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.
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.
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.
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.
To select a profile:
Running an Evaluation
You can evaluate the profile against the available experimental data.
To run an evaluation:
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.
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.
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.
To select a profile:
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:
The icon appears when the Enable regression check box is selected.
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.
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:
Mole fraction of 6 CR 0 1
Asphaltene factor 0 1
k0 -10 0
k1 -1000 1000
k2 0 1000000
k3 0 10000
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 .
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
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
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.
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
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.
Saving a Profile
To save a profile:
One-branch 0~1
methylene
Two-branch 0~2
methylene
Selecting a profile from the Assay Management profile library is always recom-
mended.
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
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
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
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.
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-
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.
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.
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
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.
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.
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.
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
CutYieldByWt Percent
CutYieldByVol Percent
CumulativeYieldByWt Percent
CumulativeYieldByVol Percent
Physical & Transport
SpecificVolume
MolecularWeight
CentroidBoilTemp Temperature
Distillation
MONClear
RONClear
DONClear
CetaneNumber
SmokePt Length
LuminometerNumber
Other
Acidity Acidity
BromineNumber
AnilinePoint Temperature
WaxContent Percent
C5Mass Percent
C5Vol Percent
WatsonK
AnilineGravityProduct
Color
AromaticityFactor
N+2A Percent
N+A Percent
VABP Temperature
WABP Temperature
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
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
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
ThetaA
ThetaB
CriticalTemperature Temperature
CriticalPressure Pressure
CriticalVolume Volume
CharacteristicVolume
OmegaSRK
Accentricity
Temperature Temperature
Required
Temperature Temperature
CloudPointIndex
PourPointIndex
FlashPointIndex
DieselIndex
PenetrationIndex
CetaneIndex
SmokePointIndex
FreezePointIndex
CBP = 0.5*(IBP+FBP)
Where:
CBP = 0.5*(MABP+CABP)
Where
(
SLD = Σ moleFrac i × MWi ÷ Σ ) ( moleFraci × MWi
Den i )
Where:
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.
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:
Mass Blend
The mass blend is used to blend properties based on the mass fraction. The fol-
lowing is the calculation formula:
Where:
Mole Blend
The mole blend is used to blend properties based on the mole fraction. The fol-
lowing is the calculation formula:
Where:
Volume Blend
The volume blend is used to blend properties based on the volume fraction. The
following is the calculation formula:
Where:
Index Blend
MixProp = PropFromIndex(PropIndexi)
Where:
Where:
RONsum = ΣRON i × Vi
i
MONsum = ΣMON i × Vi
i
Olfsum = ΣOlfi × Vi
i
Olfsum2 = ΣOlf i2 × Vi
i
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:
RON Clear
The RON Clear is calculated using the following formula:
The RONidx blending by volume and the RON of the blend are calculated using
the following reverse formula:
Where:
l Volume blend
l Healy blend
DON Clear
The DON Clear is calculated using the following formula:
(
DON Clear = ) RON + MON
2
RON Leaded
The RON Leaded is calculated using the following methods:
l Volume blend
l Healy blend
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:
Smoke Point
The smoke point is calculated using a built-in formula.
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
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:
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
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
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 Aspen_FlashPointIndex
FlashIndex = (FlashPointInR)^(-1/0.6)
l ABML_FlashPointIndex
FlashPointIndex = 100000*( FlashPointInR)^(-1/0.6)
Where:
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:
Where:
Refractive Index
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
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:
Where:
Where:
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.
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
Pour Point
The pour point is calculated using a built-in formula.
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.
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
Where:
Softening Point
The softening point is calculated using a built-in formula.
Penetration
The Penetration is calculated using a built-in formula.
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 × logD86temp10
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
Where:
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
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
l isoParaffinsByVol
l isoParaffinsByWt
l nParaffinsByVol
l nParaffinsByWt
l NaphthalenesByVol
l NaphthalenesByWt
l OlefinsByVol
l OlefinsByWt
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
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.
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
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
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
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
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.
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
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
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:
WABP
WABP is weight average boiling point. It is calculated using the following for-
mula:
WABP = Σ(Xwt*TB)
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 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
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
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
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