1 2010 06 16

1 2010 06 23
|
|
| ()
| 2004. 12. 1(315-2008-022)
| 157-857 3 316-3 102
| www.book.co.kr
| (02)3159-9638~40
| (02)3159-9637
ISBN 978-89-6023-387-4 13430
() .
.

.
Part I ~ Part III Part I
Part II 11
. Part III
. 4

.
.
1 : Process Flowsheet
2: input()
3:
Part II 11 workshop
1 Process Flowsheet
. 2 input
11
.
Part III
.

, , ,
.
data, data
Aspen Plus
manual .
Help manual
.

conceptual
design
.
2010 6

Contents
PART 1
PART 2


_ 4
Physical Properties and selection of thermodynamic models _ 10
Simulation of an Air Compressor _ 18
Flash Separation _ 34
Introduction to Simulation with RadFrac _ 54
Design Specifications and Sizing _ 67
Sensitivity Analysis _ 75
Heat Exchangers _ 88
Production of Cyclohexane _ 93
Simulating a Distillation Column for Crude Oil _ 101
Simulating a Stripper for Wastewater Treatment _ 108
An Absorber-Stripper Process for CO
2
Capture Using MEA _ 110
Phase equilibrium (azeotrope case) _ 112
PART 3

Unit Operation Model Types _ 122
Reactor Models _ 133
Calculator Blocks _ 150
Customizing the look of your flowsheet _ 168
Optimization _ 180
PART
1

10




PHY5lCAL PROPERTlE5
AND 5ELECTlON OF THERMODYNAMlC MODEL5

A properly nelhod is a colleclioh ol equaliohs used lo calculale all
physical properlies. Lach properly nelhod cohlaihs a specilic equalioh lo
calculale a giveh properly, such as ehlhalpy, dehsily, elc. ASPLN Plus cohlaihs
several properly nelhods. How do you choose ah appropriale nelhod7 This is
lhe locus ol lhis lulorial. The key lhernodyhanic properly calculaliohs perlorned
ih a sinulalioh is phase equilibriun. The basic relaliohship lor every conpohehl i
ih lhe vapor ahd liquid phases ol a syslen al equilibriun is lhal lugacily ih lhe
liquid phase = lugacily ih lhe vapor phase. Whal is lugacily777 (Here we go, pasl
courses conihg back lo hauhl you -). Fugacity is a neasure ol lhe lehdehcy ol
a conpohehl ol a liquid nixlure lo escape, or vaporize, lron lhe nixlure. The
conposilioh ol lhe vapor lorn ol lhe nixlure, above lhe liquid, is hol lhe sane
as lhal ol lhe liquid nixlure, il is richer ih lhe nolecules ol lhal conpohehl lhal
has a grealer lehdehcy lo escape lron lhe liquid phase. The lugacily ol a pure
conpohehl
0
i
f is relaled lo lhe pressure lhal il exerls ih lhe vapor
phase lhrough a lugacily coelliciehl (
o
i
I ).
P f
o
i i
I
0
.
lh ah ideal gas,
o
i
I = 1 ahd lhe lugacily is equal lo lhe pressure. Wheh we have
nixlures, lugacily ol conpohehl l ih lhe nixlure is relaled lo lhe pure-
conpohehl lugacily by.

0
, v i i
v
i
f y f lor lhe vapor ahd
0
, L i i
L
i
f x f lor lhe liquid (where y ahd x represehl
nole lracliohs ih lhe vapor ahd liquid phases). Hehce, P y f
i v i
v
i ,
I ahd
P x f
i L i
L
i ,
I . Al equilibriun, bolh lugacilies should be equal. Fugacilies cah be
calculaled usihg lwo naih nelhods. equaliohs ol slale, aclivily coelliciehl nodels,
ideal syslens, ahd special nodels. Lel us review all ol lhen.

Part 1 |

11

EQUATlON5 OF 5TATE
Classical lhernodyhanics provides a neahs lor properlies such as
ehlhalpies ahd dehsilies lron P-V-T relaliohs which are relerred lo as lhe
Lqualiohs ol Slale (LOS). Sone ol lhe connoh LOS ihclude cubic equaliohs ol
slale ahd lhe virial equaliohs ol slale. Slean lables are ah exanple ol aholher
lype ol equalioh ol slale. The sinplesl equalioh ol slale is lhe ideal gas law (PV
= hRT). The ideal gas law assunes lhal nolecules have ho size ahd lhal lhere
are ho ihlernolecular ihleracliohs. This cah be called absolule idealily, ih cohlrasl
lo idealily delihed relalive lo pure conpohehl behavior, as used ih lhe aclivily
coelliciehl approach.
Lxanples ol EO5 ModeIs lor prediclihg properlies ihclude.
x RedIich-Kwong-5oave
x RedIich-Kwong
x Peng Robinson
x Sahchez-Laconbe (lor polyners)

Wilh ah equalioh-ol-slale nelhod, all properlies cah be derived lron lhe
equalioh ol slale, lor bolh phases.

ACTlVlTY COEFFlClENT MODEL5


Al a giveh lenperalure, lhe ralio ol a lugacily ol a conpohehl ih lhe nixlure lo
ils lugacily ih sone slahdard slale (e.g., lugacily ol pure conpohehl) is lerned
aclivily, a. Hehce,
o
i
i
i
f
f
a
The aclivily is relaled lo nole lracliohs via lhe aclivily coelliciehl J as lollows.
i v i v i
y a
, ,
J ahd
i L i L i
x a
, ,
J
For ideal soluliohs. 0 . 1
, ,
J J
L i v i

lh hoh-ideal soluliohs, lhe aclivily coelliciehl is eslinaled lhrough a variely ol
nodels. Lxanples ol activity coefficient modeIs ihclude.
12


x WiIson
x Van Laar
x UNlFAC
x UNlQUAC
x FIory Huggins
x NRTL
x EIectroIyte NRTL
x 5catchard HiIdebrand

The aclivily coelliciehl represehls lhe devialioh ol lhe nixlure lron idealily (as
delihed by lhe ideal solulioh). The grealer lhe devialioh lron uhily, lhe nore
hoh-ideal lhe nixlure.
lh lhe najorily ol nixlures, lhe aclivily coelliciehl is grealer lhah uhily. The resull
is a higher lugacily lhah ideal. As nehliohed earlier, lhe lugacily cah be
ihlerpreled as lhe lehdehcy lo vaporize. ll conpouhds vaporize nore lhah ih ah
ideal solulioh, lheh lhey ihcrease lheir average dislahce. So aclivily coelliciehls
grealer lhah uhily ihdicale repulsioh belweeh uhlike nolecules. ll lhe repulsioh is
slrohg, liquid-liquid separalioh occurs. This is aholher nechahisn lhal decreases
close cohlacl belweeh uhlike nolecules. ll is less connoh lhal lhe aclivily
coelliciehl is snaller lhah uhily. sihg lhe sane reasohihg, lhis cah be ihlerpreled
as slrohg allraclioh belweeh uhlike nolecules. lh lhis case, liquid-liquid
separalioh does hol occur. lhslead lornalioh ol conplexes is possible.
sihg ah aclivily coelliciehl nelhod, lhe vapor phase properlies are
derived lron ah equalioh ol slale, exaclly as ih lhe equalioh-ol- slale nelhod.
However lhe liquid properlies are delernihed lron sunnalioh ol lhe pure
conpohehl properlies lo which a nixihg lern or ah excess lern is added.


lDEAL MODEL5

Ah ideal syslen is ohe lhal lollows lhe ideal gas law (PV=hRT) ih lhe vapor
phase ahd Raoull's law ih lhe liquid phase. ldeal gas law is lypically acceplable al
Part 1 |

13

low pressures. The ideal solulioh assunes lhal all nolecules ih lhe liquid solulioh
are idehlical ih size ahd are rahdonly dislribuled. This assunplioh is valid lor
nixlures cohlaihihg nolecules ol sinilar size ahd characler. ldealily cah also exisl
belweeh polar nolecules, il lhe ihleracliohs cahcel oul.
lh geheral, you cah expecl hoh-idealily ih nixlures ol uhlike nolecules or
wheh you have polar
1
conpohehls. Lilher lhe size ahd shape or lhe
ihlernolecular ihleracliohs belweeh conpohehls nay be dissinilar. For shorl
lhese are called size ahd ehergy asynnelry. Lhergy asynnelry occurs belweeh
polar ahd hoh-polar nolecules ahd also belweeh dillerehl polar nolecules. Ah
exanple is a nixlure ol alcohol ahd waler.

The lDLAL properly nelhod acconnodales bolh Raoull's law ahd Hehry's
law. This nelhod uses lhe.
ldeal aclivily coelliciehl nodel lor lhe liquid phase (aclivily coelliciehl = 1)
ldeal gas equalioh ol slale lor lhe vapor phase (PV = hRT)
ldeal nixihg ih liquid

5PEClAL MODEL5
For specilic syslens, lhere are special nodels lhal cah used lo predicl
properlies. Lxanples ihclude.
x Slean Tables
x APl Sour-Waler Melhod
x Kehl-Lisehberg
U5E OF HENRY'5 LAW
Hehry's law is ohly used wilh ideal ahd aclivily-coelliciehl nodels. ll is
used lo delernihe lhe anouhl ol a supercrilical conpohehl or a lighl
(hohcohdehsable) gas (e.g., CO
2
, N
2
, elc.) ih lhe liquid phase. To use Hehry's law
lor hohcohdehsable conpohehls, you nusl desighale lhese conpohehls as
Hehry's conpohehls oh lhe Conpohehls Hehry-Conps lorn. Hehry's cohslahl

1
An example of a strong polar compound is water. The following is a list of relative polarities of functional
groups starting with most polar and ending with least polar: waterorganic
acidsaminesalcoholsestersketonesaldehydesethersaromticsolefinsparaffins.
14


nodel paranelers (HLNRY) nusl be available lor lhe solule wilh al leasl ohe
solvehl. se lhe Properlies Paranelers ihary lhleraclioh lorn (HLNRY-1) lo ehler
Hehry's cohslahls or lo review buill-ih paranelers. Aspeh Plus cohlaihs ah
exlehsive colleclioh ol Hehry's cohslahls lor nahy solules ih solvehls. Solvehls
are waler ahd olher orgahic conpohehls. Aspeh Plus uses lhese paranelers
aulonalically wheh you specily lhe lDLAL properly nelhod.

ll you are doubllul aboul lhe idealily ol a syslen, you cah develop Y-X or
T-Y-X plol lo exanihe lhe behavior ol lhe nixlure.

ROADMAP FOR CHOO5lNG A PROPERY METHOD

lh nosl cases, lhe conparisoh will be belweeh lhe use ol wilher LOS
nodels or aclivily coelliciehl nodels. The lollowihg lable describes sone ol lhe
key lealures lor each.
TALE l. Comparison etween EO5 and Activity Coefficient ModIes

EO5 ModeIs Activity Coefficient ModeIs
Liniled ih abilily lo represehl hoh-
ideal liquids
Cah represehl highly hohideal liquids
Cohsislehl ih crilical regioh lhcohsislehl ih crilical regioh
Cah represehl bolh lhe vapor ahd
liquid phases
Cah represehl lhe liquid phase ohly.
Therelore, lhe gas phase nusl slill be
described by ah LOS nodel
Paranelers exlrapolale well wilh
lenperalure
ihary paranelers are highly
depehdehl oh lenperalure




ll you doh'l have ah exacl nodel lor your syslen, you nay use lhe
lollowihg lree search lo selecl lhe lhernodyhanic nodel.
Part 1 |

15



Fig. l. Tree 5earch for 5eIection of Thermodynamic ModeI

ExampIes:
Waler-behzehe. Waler is polar => use aclivily coelliciehl nodel.
Propahe-elhahe-bulahe. ho polarily use LOS nodel
ehzehe-loluehe. ho polarily & sinilar sizes use LOS nodel
Waler-elhahol. Waler is polar => use aclivily coelliciehl nodel.
Acelohe-waler-carboh dioxide. Aclivily coelliciehl nodel wilh CO
2
desighaled as
Hehry's conpouhd.







Do You Have AnyPolar
Components in Your System?
Use EOS Model
Are the operating conditions
near the critical region of the mixture
Do you have light gases or
supercritical components
in your system
Use activity coefficient
model with Henrys law
Use activity
coefficient

model
No
Yes
Yes
Yes
No
No
PART
2

18




Workshop #1
Simulation of an Air Compressor


An isentropic compressor is used to compress 100 lbmole/hr of air (21% oxygen and
79% nitrogen) at 60 qF and 14.7 psia to a pressure of 147 psia. Use Aspen Plus to model
this system. The flowsheet is shown below (Fig I.1)
Air
100 lbmole/hr
21% Oxygen
79% Nitrogen
14.7 psia
60
o
F
147.0 psia
Isentropic
Compressor
Horsepower?
Temperature?

Figure I.1. Isentropic Compression Process
Turn In:
1) A memo with answers to the following:
a) How much power is needed to achieve the compression (in hp)?
b) What is the outlet air temperature in qF?


Step By Step Instructions For Workshop #1:
Initiating the Aspen Plus User Interface on the PC:
Part 2 |

19

x Open the Aspen Plus User Interface from the start bar
Figure I.2 below shows the location of the Aspen Plus User Interface on the start bar.

Figure I.2. Starting ASPEN Plus

After clicking on Aspen Plus User Interface, Aspen Plus will open and prompt you to select
one of three options: blank simulation, template, or open an existing simulation.
x Select blank simulation and click on OK
The Aspen Plus startup screen can be seen in Figure I.3.
20



Figure I.3. ASPEN Plus Startup
The program will now connect to the server
2
, this will take a few seconds. You are now
ready to begin your simulation.
Creating a Simulation Flowsheet
The bottom of the Aspen Plus window contains several tabs, which can be seen in Figure I.4.
These tabs allow the user to select the type of equipment or stream to be placed in their
simulation flowsheet.

Figure I.4. Model Menu Tabs
x With the Ieft mouse button cIick once on the pressure changers tab.
This brings up several choices of equipment.

2
If the program asks you about connecting to engine, use the local PC as the default server.
Part 2 |

21

x With the Ieft mouse button cIick once on the Compr arrow.
This brings up four options for compressor icons. Figure I.5 below shows the selection of the
compressor tab and the proper compressor icon.

Figure I.5. Selecting an Icon for the Compressor
You are how ready lo ihserl lhe conpressor ihlo lhe sinulalioh llowsheel.
x Click (lell) oh lhe icoh ahd drag
3
il ohlo lhe Process Flowsheel Wihdow ahd
release il (Fig. l.6).




3
ll ihslead ol dragging lhe icoh, you cIick oh il you will see lhe - sigh wheh you
nove lo lhe Process Flowsheel Wihdow. This sighals lhal you are ih a nulliple
ehlry node. lh lhis case each line you click (lell), you will be repealedly placihg
ah addiliohal conpressor block. To slop lhe repealed placihg ol blocks, click
(right nouse bulloh) ahywhere ih lhe Process Flowsheel Wihdow or click (lell
nouse bulloh) oh lhe 5eIect Mode utton lo slop placihg blocks.

22


Drag and drop (with left button)

Fig. l.6. Dragging the lcon to Draw the Iock

Next, feed and product streams must be connected.
x On the bottom of the Aspen PIus window with the Ieft mouse button cIick
once on the 5TREAM5 arrow.
x With the Ieft mouse button cIick once on the MateriaI icon.
Once selecting the material stream icon the compressor block in the simulation flowsheet
will show three arrows, two red and one blue. These arrows indicate inlet and outlet
locations. The red arrows are feed and product locations that require streams to be attached.
The blue arrow is for collecting any liquid that is formed during compression. This is an
optional outlet that you don't have to connect to an outlet stream.
Part 2 |

23

x Move the pointer to the top red arrow untiI it is highIighted, then cIick on
it with the Ieft mouse button once.
x Now move the pointer away from the compressor icon. This wiII increase
the Iength of the feed stream. Once at the desired Iength cIick the Ieft
mouse button once.
The inlet feed stream to the compressor icon is now complete and labeled 1
The same procedure can be used to insert the product stream.
x Move the mouse pointer over to the bottom red arrow until highlighted. With the
left mouse button click once.
Now, again move the pointer away from the compressor and cIick the Ieft
mouse button once when the desired stream Iength is achieved. Click oh right
nouse bulloh ahywhere ih lhe Process Flowsheel Wihdow or click (lell nouse
bulloh) oh lhe 5eIect Mode utton lo slop placihg slreans.

The simulation flowsheet is now complete and should look like Fig. I.7.
24


Figure I.7. Process Flowsheet
x From the File pull down menu, select Save As. It is advisable that you save your file
as a .bkp file (Fig. I.8a).

Fig. I.8a. File Saving
Part 2 |

25

You may get a warning message as shown in Fig. I.8b, click No indicating that you
still want to save it in the backup format.


Fig. I.8b. Warning Message
Entering Input Specifications
The run now contains all the information about the simulation flowsheet. Next, the data
required to complete the problem specification must be entered. These data include
components, properties, the feed streams, and block operating parameters. To input these
data the setup button is used. The setup button is located at the top of the screen and can be
seen in Figure I.9a.
Setup
Button

Figure 1.9a The Setup Button
x Move the mouse pointer to the setup button and click once with the left mouse
button.
26


Alternatively, you can go from the Data menu to the Setup option as shown in Fig. I.9b.

Fig. I.9b. Setup Option
This will bring up a new window, setup specifications, that can be seen in Figure I.10.

Figure I.10. Setup Specification

Part 2 |

27

On this window, you can enter a title of your simulation (e.g., title of the workshop, your
name).
x Left click once in the Title box then enter Workshop #1: Compressor by Ready T.
Graduate.
On the Setup Specification window, you can also choose the units to display your
input and output data (e.g. molar, mass, SI, metric, Engineering, etc.) as shown in Fig. I.11.

Fig. I.11. Entering Data on Setup Specification Window
The program will help guide you through the setup with the use of the Next button.
The Next button is a very useful advancement guide (an on-line artificial intelligence guide).
x Left click once on the advancement button.
You will get the Component Specifications Window Alternatively, you could have clicked on
the Component Folder then the Specifications Form as shown in Fig. I.12.
28



Fig. I.12. Using Folders and Forms to Access Component Specifications Window
In our simulation, we have two components, oxygen and nitrogen.
x Left click in the Component ID Field and type Oxygen. When you hit return, the
program will recognize that it is oxygen and will display its type, name, and chemical
formula (Fig. I.13). You can do the same for Nitrogen.


Fig. I.13. Component Specifications Window

x Left click on the Next button, you will get the Properties Specifications Window.
Part 2 |

29

On
this form, you need to specify the type of thermodynamic model that will be used to estimate
the physical properties of the components and streams. Click on the drop-down arrow to get a
menu of choice. Select RK-Soave
4
as your thermodynamic model (see Fig. I.14).

Fig. I.14. Selection of a Thermodynamic Property Method
x Click on the Next button, you will get the Properties Parameters Binary Interaction
Window. This window is used when you have thermodynamic binary parameters that
you would like to use to override ASPEN's data. No need to do that today (save your
binary parameters for a rainy day)!. Click on Next button, you will get a couple of
windows for thermodynamic databases and parameters. Again, skip both and click on
Next. You will get the window shown in Fig. I.15 indicating that you are done with
properties and ready to proceed to the next required input step. Click on O.K.


4
Redlich-Kwong-Soave (RK-Soave) is a cubic equation of state. This property method is recommended for air
compression, gas-processing, refinery, and petrochemical applications. Example applications include gas plants,
crude towers, and ethylene plants.
30



Fig. I.15. Required Input for Properties is Complete
You are now on the Stream Input Window (Fig. I.16).
x Enter the values of temperature (60
o
F), pressure (14.7 psi), and molar flowrate (100
lbmol/hr) for the entering air stream.

Fig. I.16. Entering Stream Data
If the units were not what we wanted, we could have used the drop-down menu to change the
units (Fig. I.17).

Part 2 |

31


Fig. I.17. Changing Units
x In the composition field, use the drop-down arrow to display the menu for
compositions. Choose Mole-Fraction (Mole-Frac) option (Fig. I.18) and enter the
data for air (0.21 Oxygen and 0.79 Nitrogen as shown in Fig. I.19).

Fig. I.18. Selection of Mole Fraction

Fig. I.19. Entering Mole Fractions

x Click on Next, you will get the Block Setup window (Fig. I.20). The Isentropic
compressor model is already selected (which is our compressor type). We also need to
32


enter the data for the outlet of the compressor. Since the outlet pressure is 147 psia, you
can click on Discharge pressure and enter 147 psia (or click on pressure ratio and enter
10).

Fig. I.20. Block Setup Window
x Click on Next, you will get a window indicating that all required input has been
provided and are complete
5
. Do you want to run simulation? Click on O.K.

Fig. I.21. Required Input Complete

5
Notice that the symbol now appears next to all input forms indicating that they are complete.
Part 2 |

33

x Once the simulation converges, click on the Display Results Button (Fig. I.22).
Alternatively, you could you click on the Next button. Also, you could have gone to
the Data menu then to the Results Option.
Display
Results
Button

Fig. I.22. Display Results Button
Use the browsing buttons (>> and <<) to browse through the results forward
and backward. You can also click on the Blocks folder then click on B1 form you will
get the results as shown in Fig. I.23. Record/print the required results, save your file,
and exit.
Your
numbers

Fig. I.23. Viewing Results


Congratulations! You have performed your first ASPEN simulation.

34



Workshop #2
Flash Separation
A flash column is used to separate a gas mixture into liquid and vapor fractions. The
feed is at 400
o
F and 21 atm (Fig. II.1). It contains hydrogen (30.0 lbmol/hr), nitrogen (15.0
lbmol/hr), methane (43.0 lbmol/hr), cyclohexane (144.2 lbmol/hr), and benzene (0.2
lbmol/hr). The flash column operates at 120
o
F and there is no pressure drop in it. The liquid
entrainment in the vapor phase from the separator is 0.012.
The flash column can be modeled by ASPEN Plus' model FLASH2 and the thermodynamic
properties can be estimated using the Redlich-Kwong-Soave equation.
Part I: What is the flowrate and composition of the vapor phase
Part II: Develop the heating curve for the separator and use it to determine the dew point of
the feed.
Part III: If we wish to split the molar flowrate of the feed equally between the vapor and the
liquid products, what should the column temperature be (while keeping all other operating
conditions the same)? Verify your answer by running a new simulation with the new column
temperature.
Your report should include a memo, your input files, and supporting graphs.
Feed
S1
400
o
F
21 atm.
Hydrogen = 30.0 lbmol/hr
Nitrogen = 15.0 lbmol/hr
Methane = 43.0 lbmol/hr
Cyclohexane = 144.2.0 lbmol/hr
Benzene = 0.2 lbmol/hr
High
Pressure
Flash
120
o
F
(no pressure
drop)
Vapor
S2
Liquid
S3

Fig. ll.l. FIash 5eparation Process

Fron lhe Model Mehu, lell click oh lhe Separalors lab, lheh lell click oh lhe
Part 2 |

35

drop-dowh arrow lor Flash2, lheh selecl lhe Verlical-Drun2 icoh as
showh ih Fig. ll.2.

Fig. ll.2. 5eIection of V-Drum2 lcon
The block is lilled 1. We would like lo rehane il as "HP-SLP". Lell click oh 1
lo selecl il. Click oh righl nouse bulloh lo display a nehu (Fig. ll.3). Lell click oh
Rename Iock.
36



Fig. ll.3. Renaming the Iock
Ah ihpul wihdow will be displayed pronplihg you lo ehler lhe hew hane. Type
HP-SLP. ahd click O.K. (Fig. ll.4).

Fig. ll.4. Entering the New Name of the Iock

Cohhecl lhe ihpul ahd oulpul slreans lo lhe llash. They are aulonalically
Part 2 |

37

hunbered 1, 2, ahd 3. lh order lo rehane lhen S1, S2, ahd S3, lollow a sinilar
procedure lo rehanihg lhe block (Figs. ll.5a ahd ll.5b).


Fig. ll.5a. Renaming a 5tream


Fig. ll.5b. Entering the New Name of the 5tream

38


se lhe Nexl bulloh lo guide you lhrough lhe lorns. Wheh you reach lhe
Conpohehls Specilicaliohs lorn, ehler hydrogeh, hilrogeh, nelhahe, ahd
behzehe. As you lype cyclohexahe, you will be able lo ehler 8 lellers ohly
(Cyclohex). The progran does hol recoghize lhis as a cohvehliohal chenical
conpouhd. Therelore, we heed lo use lhe Find oplioh (Fig. ll.6).
Unknown in
the Database
Click on
the Find Button

Fig. ll.6. The Find utton

lh lhe while lield lor "conpohehl hane or lornula", lype cyclohexahe ahd click
oh Fihd how. You will see cyclohexahe anohg lhe suggesled conpohehls (Fig.
ll.7). Double click oh il (wilh lhe lell bulloh) ahd il will be added lo your
Part 2 |

39

Conpohehls Specilicaliohs Forn.

Fig. ll.7. Locating CycIohexane

Keep usihg lhe Nexl bulloh ahd ehler appropriale dala uhlill you reach lhe
Slrean lhpul wihdow. hder conposilioh, you cah ehler lhe llows ol lhe various
conpohehls. There is ho heed lo ehler lhe lolal llowrale as il will be calculaled
lron lhe ihdividual llows (Fig. ll.8).
40






Fig. ll.8. Entering FIowrates under Compositon

Wheh you reach lhe lock wihdow, ehler zero
6
lor pressure. This ihdicales lhal
lhere is ho pressure drop ih lhe llash Fig. ll.9).


6
Entering a positive number for pressure corresponds to the actual pressure, entering zero indicates no pressure
drop in the unit, and entering a negative number corresponds to the pressure drop inside the unit.
Part 2 |

41

Fig. ll.9. Entering No Pressure Drop

lh order lo ehler lhe ehlraihed liquid wilh lhe vapor, lell click oh lhe ehlraihnehl
lab ahd ehler 0.012 ih lhe liquid ehlraihnehl lield (Fig. ll.10).
42


Fig. ll.l0. Entering Entrainment Data

Wheh you click oh lhe Nexl bulloh, il ihdicales lhal you have provided lhe
required dala ahd are ready lo sinulale. Ruh your sinulalioh ahd view your
resulls.

PART :
The dew poihl is lhe poihl al which lhe nixlure slarls lo cohdehse. Above lhis
lenperalure, lhe nixlure is conplelely ih lhe vapor phase, i.e.
Vapor lraclioh = 1
Part 2 |

43

where lhe vapor lraclioh is delihed as.

column the entering feed the of flowrate
column the of top the leaving vapor the of flowrate

Therelore, il we have a lable or a graph providihg lenperalure vs. vapor lraclioh,
we cah locale lhe lenperalure al which lhe vapor lraclioh slarls lo go below 1
ahd desighale il as lhe dew poihl lor lhe nixlure. lh order lo plol lenperalure vs.
vapor lraclioh, we heed lo use ah oplioh called Healihg Curve (or H-Curve). Here
is how il works.

x CIick on Data rowser button . DoubIe cIick on Iocks, then doubIe
cIick on HP-5EP. You wiII see the foIder for H-Curve, Ieft cIick on it ahd il
will opeh a wihdow sinilar lo lhe ohe showh ih Fig. ll.11.


44



Fig. ll.ll. Heating Curve Window

x Lell click oh New, you will gel lhe wihdow showh ih Fig. ll.12.

Fig. ll.l2. lD Window for H-Curve

Part 2 |

45

x Click oh O.K., you will gel lhe wihdow showh ih Fig. ll.13. To nake lhe plol
nore accurale chahge lhe hunber ol poihls lron 10 lo 20.

Fig. ll.l3. seIecting Number of Data Points

x Click oh lhe Next bulloh ahd ruh lhe sinulalioh.

x Click oh lhe Resulls bulloh .

x DoubIe cIick on Iocks, doubIe cIick on HP-5EP, doubIe CIick on H-Curve,
and Ieft cIick on l, you will gel lhe wihdow showh ih Fig. ll.14.
46




Fig. ll.l4. Viewing H-Curve ResuIts

x Click oh lhe ResuIts lab.

x HighIight the Temperature coIumn (by Ieft cIicking on the heading
Temperature). Go to the drop down menu of pIot and Ieft cIick on Y-Axis
VariabIe (Fig. ll.15).
Part 2 |

47


Fig. ll.l5. 5eIecting the Y-Axis VariabIe

x Sinilarly, you cah highlighl lhe Vapor lraclioh colunh by lell clickihg oh lhe
vapor lraclioh headihg. Theh go lo lhe drop dowh nehu ol Plol ahd click oh
X-Axis variable (Fig. ll.16).
48



Fig. ll.l6. 5eIecting the X-Axis VariabIe

x Fron lhe drop dowh nehu, cIick on DispIay PIot (Fig. ll.17).


Fig. ll.l7. DispIaying the PIot

Part 2 |

49

Now, you will gel lhe graph showh ih Fig. ll.18.

Fig. ll.l8. The Heating Curve

x Now, lel us edil lhe graph. For ihslahce, lel us chahge VFRAC lo Vapor
Fraclioh. Lell click oh VFRAC lheh righl click you will gel Ldil (Fig. ll.19).

Fig. ll.l9. Editing the Graph

Click oh Ldil, you will gel lhe wihdow showh ih Fig. ll.20. Type Vapor Fraclioh ahd
click oh O.K.

50



Fig. ll.20. Editing the Text
Also, lel us inprove lhe readabilily ol lhe graph by ihcludihg a nesh ihslead ol
lhe verlical grids.
x Right cIick ih ah enply space oh lhe graph, you will gel lhe nehu showh ih
Fig. ll.21.

Fig. ll.2l. Editing Properties of the PIot

x Left cIick on Properties, you will gel lhe wihdow showh ih Fig. ll.22.

Part 2 |

51


Fig. ll.22. Changing the Grid's VerticaI Lines to Mesh
x Left cIick on the Grid tab, then seIect the Mesh option under Grid. Left
cIick on AppIy then O.K., you wiII get the pIot shown in Fig. ll.23. For your
report, you can copy this graph (Copy under Edit) and paste in your Word
or Powerpoint fiIes.
Block HP-SEP (Flash2) Hcurves 1 Results
Vapor fraction
T
E
M
P
E
R
A
T
U
R
E

F
0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8 0.85 0.9 0.95 1
1
5
0
2
0
0
2
5
0
3
0
0
3
5
0
4
0
0
TEMP

Fig. ll.23. Revised H-Curve PIot
52

The dew poihl is lhe lenperalure al which cohdehsalioh slarls (i.e., lhe
vapor lraclioh slighlly goes below 1.0). Lell click oh lhe poihl where lhe vapor
lraclioh slarls lo go below 1. ASPLN Plus displays lhe coordihales. Al lhe dew
poihl, lhe lenperalure (Y-axis) is aboul 376
o
F (Fig. ll.24).


Fig. ll.24. Location of the Dew Point

PART C:
Fron lhe Tenperalure vs. Vapor Fraclioh plol, we cah see lhal a vapor
lraclioh ol 0.5 correspohds lo a llash lenperalure ol aboul 290
o
F. Lel us revise
lhe ihpul dala. sihg Dala rowser, double click oh locks ahd double click oh
HP-SLP, lheh chahge lenperalure lron 120
o
F lo 290
o
F (see Fig. ll.25).
Part 2 |

53


Fig. ll.25. Changing FIash Temperature

Click oh Nexl, ruh, ahd review resulls. See il lhe nolar llowrales ol S2 ahd S3 are
approxinalely lhe sane (hall ol lhe leed).


54



Workshop #3
Introduction to Simulation with RadFrac

RadFrac is a rigorous ASPEN Plus model for simulating various types of multistage
vapor-liquid fractionation operations. These operations include:
x Ordinary distillation
x Absorption
x Reboiled absorption
x Stripping
x Reboiled stripping
x Extractive and azeotropic distillation
RadFrac numbers stages from the top down, starting with the condenser (or starting
with the top stage if there is no condenser). Figure III.1 illustrates the various flowsheet-
connectivity options for RadFrac.


Fig. III.1. Flowsheet Connectivity Options for RadFrac



RadFrac can have any number of:
x Feeds
x Stages
Part 2 |

55

x Interstage heaters/coolers
x Decanters
x Pumparounds

Material Streams
Required:
x Inlet: At least one inlet material stream
x Outlet: One vapor or liquid distillate product stream, or both
x One bottoms liquid product stream
Optional:
x One water distillate product stream (optional)
x Up to three side product streams per stage (optional)
x Any number of pseudo-product streams (optional)

Each stage can have:
x Any number of inlet streams
x Up to three outlet streams (one vapor and two liquid)
Outlet streams can be partial or total drawoffs of the stage flows.

Heat Streams
Inlet: One inlet heat stream per stage (optional)
One heat stream per pumparound (optional)
Outlet:One outlet heat stream per stage (optional)
One heat stream per pumparound (optional)

RadFrac uses an inlet heat stream as a duty specification for all stages except the
condenser, reboiler, and pumparounds. If you do not give two column operating
specifications on the Setup Configuration sheet, RadFrac uses a heat stream as a specification
for the condenser and reboiler. If you do not give two specifications on the Pumparounds
Specifications sheet, RadFrac uses a heat stream as a specification for pumparounds.

56


Partial Condenser, Total Condenser, Partial Reboiler, Stage, Tray (I thought I was
done with this stuff in my junior year)?

In a total condenser (Fig. III.2) , the overhead vapor is entirely condensed and split
into two portions: a liquid distillate which leaves the column and a liquid reflux which is
returned to the top plate. The reflux ratio is defined as L/D. In a total condenser, the
compositions of the overhead vapor, the distillate, and the reflux are all the same. Therefore,
there is no separation achieved. That is why a total condenser is not counted as a
separation/equilibrium stage.
Overhead
Vapor
V
y
1
Liquid
Distillate
D
x
D
Reflux Accumulator
(Drum)
Reflux
L
x
D
Total
Condenser

Fig. III.2. Total Condenser
On the other hand, in a partial condenser (Fig. III.3) , the overhead vapor is partially
condensed. The condensate may be completely returned as reflux or may be split into two
portions: a liquid distillate which leaves the column and a liquid reflux which is returned to
the top plate. The reflux ratio is now defined L/(vapor distillate + liquid distillate).
Furthermore, the vapor fraction of the distillate is defined as flowrate of vapor
distillate/flowrate of liquid distillate (e.g., a vapor fraction = 1 corresponds to no liquid
distillate). In a partial condenser, the compositions of the distillate vapor and the liquid
Part 2 |

57

distillate or the reflux are different (actually are in equilibrium if the condenser is considered
to be an equilibrium stage). Therefore, a partial condenser is counted as an equilibrium
stage.
Overhead
Vapor
V
2
y
2
Liquid
Distillate
D
x
D
Reflux Accumulator
(Drum)
Reflux
L
x
D
Partial
Condenser Vapor
Distillate
V
1
y
1

Fig. III.3. Partial Condenser

Most reboilers (Fig. III.4) accept liquid and produce liquid and vapor streams, thereby
causing separation. Therefore, a reboiler is counted as one stage.
Liquid
Bottoms
B
x
B
Boilup
vapor
Reboiler

Fig. III.4. Reboiler
58



Now what about ASPEN's terminology. In all cases (whether the
condenser is total or partial), ASPEN will assign it as Stage #1
(don't worry, ASPEN Plus is smart enough to recognize that if it is a total condenser, it
is an idle stage not achieving any separation). The reboiler will always be the last stage.

Let us now proceed to Workshop #3. A distillation column is used to fractionate
methanol and water mixture (Fig. III.5). The feed has 63.2 wt% water and 36.8 wt%
methanol. The flowrate of the feed is 120,000 lb/hr. Its pressure is 18 psia and is a saturated
liquid (vapor fraction of the feed = 0). The column has 38 trays. The feed is introduced above
tray #23 (Now, remember according to ASPEN's terminology: stage #1 is the condenser,
therefore the feed tray is stage #24). The top-stage pressure is 16.1 psia and the pressure drop
per stage is 0.1 psi. The column uses a total condenser. The distillate flowrate is 39,885 lb/hr
and the reflux ratio is 1.3. Use NRTL-RK property method.


Part 2 |

59

Reboiler
(Stage #40)
Feed:
63.2 wt% Water
36.8 wt% Methanol
Flowrate = 120,000 lb/hr
Pressure = 18 psia
Saturated Liquid
38
Trays
Feed
Tray =
23
i.e., stage
#24
39,885 lb/hr
Reflux ratio = 1.3
Pressure =
16.1 psia
Total
Condenser

Fig. III.5. Methanol Separation from Water
Turn ln:

l) The Aspeh Plus Flowsheel lor lhe process.

2) The heal dulies ol lhe reboiler ahd lhe cohdehser.

3) A plol ol lhe conposilioh proliles lor waler ahd nelhahol ih lhe vapor
ahd liquid phases.

4) Open-Ended. sihg previous resulls as well as addiliohal ruhs (as
heeded), inprove colunh elliciehcy ahd cosl. Suggesl lwo chahges al leasl.
Hint. ll lhe cohcehlralioh prolile is llal ih cerlaih regiohs ol lhe colunh,
lhe hunber ol slages nay be reduced. You nay also cohsider olher
60

variables such as rellux ralio, boilup ralio, leed localioh, pressure ahd
leed qualily.



lN5TRUCTlON5 FOR WORK5HOP #3


Oh lhe Process Flowsheel Wihdow, lell click oh lhe Colunh lab, lheh lell
click oh lhe drop-dowh arrow nehu lor RadFrac ahd selecl lhe icoh called
Fracl1 . Rehane lhe dislillalioh block lo be called DlST-COL.
Select
This
Icon

Fig. lll.6. 5eIecting the DistiIIation lcon

Nexl, click oh a Malerial Slrean ahd drag lo lhe llowsheel area. Cohhecl il
lo lhe leed, lo lhe lop, ahd lo lhe bollon producls ol lhe dislillalioh colunh.
Nolice lhal lhe lop producl ol lhe dislillalioh colunh should be cohhecled lo lhe
Iiquid distiIIate porl hol lhe vapor dislillale porl (problen slalenehl ihdicales
lhal we have a lolal cohdehser). Rehane lhe leed, lop, ahd bollon slreans as S1,
S2 ahd S3, respeclively. The llowsheel is how conplele (Fig. lll.7).
Part 2 |

61


Fig. lll.7. FIowsheet for MethanoI 5eparation

se lhe Nexl bulloh lo proceed lill you reach lhe ihpul lorn lor lhe leed.
lh addilioh lo llowrale ahd conposilioh, you should provide values lor lwo slale
variables ol lhe leed (e.g., lenperalure ahd llowrale). We doh'l have lenperalure
bul we have lhe vapor lraclioh ol lhe leed (=0 lor saluraled liquid). Click oh lhe
drop-dowh arrow lor lenperalure lo replace il wilh vapor lraclioh ahd ehler 0
(Fig. lll.8).


Fig. lll.8. Vapor Fraction for the Feed

62



Proceed uhlil you reach lhe block selup lorn. Selecl lolal cohdehser ahd kellle
reboiler (Fig. lll.9). Also, ehler values lor lhe hunber ol slages (40 which is 38
lrays - cohdehser - reboiler), lhe dislillale llowrale (39,885 lb/hr) ahd rellux ralio
(1.3).


Fig. lll.9. RadFrac 5etup Form

Proceed uhlil you reach lhe pressure lorn lor lhe block. Lhler lhe pressure
ol lhe lop slage (16.1 psia) ahd lhe pressure drop per slage (0.1 psi) as showh ih
Fig. lll.10.

Part 2 |

63


Fig. lll.l0. Pressure Data

Now, you are ready lo ruh lhe sinulalioh.
Record lhe values ol heal dulies lor lhe cohdehser ahd reboiler.

HOW TO DRAW COMPO5lTlON PROFlLE5?

se lhe Dala rowser lo view resulls ol DlST-COL. Fron lhe Plol nehu,
selecl Plol Wizard (Fig. lll.11). Follow direcliohs. Selecl lhe lype ol plol you wahl
(ih our case, conpsolioh prolile) as showh ih Fig. lll.12. Selecl liquid phase lirsl
ahd nass basis. lh order lo plol lhe proliles lor nelhahol ahd waler, lhe >>
oplioh lo selecl bolh as showh ih Fig. lll.13. (il you wahled ohe ohly, highlighl il
lheh use lhe > oplioh).

64



Fig. lll.ll. The PIot Wizard

Fig. lll.l2. 5eIection of PIot Type




Part 2 |

65


Fig. lll.l3. Component 5eIection








66






Fig. lll.l4. Composition ProfiIes

Part 2 |

67


Workshop #4
DESIGN SPECIFICATIONS AND SIZING
(RadFrac DesignSpecs and Vary, Efficiencies, and Tray Sizing)

Sometimes, it is necessary to specify desired values of some of the output variables.
In this case, you should allow one of the input variables to vary such that the design
specification is met. In ASPEN Plus, this is handled through two important options that work
in tandem; DesignSpec and Vary. Design-Spec blocks allow you to set a process variable
which is normally calculated during the simulation. For each specification, you must identify
which process variable can be adjusted to meet that specification. For this reason, Design-
Spec blocks can be used as feedback controllers.

To use this block you must specify which model variables must be fixed, what values
they must be fixed at, and which model input variables can be manipulated (varied). In
general, number of DesignSpec variables = number of Vary variables.

Let us do an example by revisiting Workshop #3. Again, we have a distillation
column used to fractionate methanol and water mixture (Fig. IV.1). The feed has 63.2 wt%
water and 36.8 wt% methanol. The flowrate of the feed is 120,000 lb/hr. Its pressure is 18.0
psia and is a saturated liquid (vapor fraction of the feed = 0). The column has 38 trays. The
feed is introduced above tray #23 (Now, remember according to ASPEN's terminology: stage
#1 is the condenser, therefore the feed tray is stage #24). The top-stage pressure is 16.1 psia
and the pressure drop per stage is 0.1 psi. The column uses a total condenser.
PART A
Now, we would like to reach a 99.95 wt% purity for methanol in the distillate and
99.90 wt% purity for water in the bottoms. Since we have two design specifications, we must
vary two variables. Let us allow the distillate flowrate and reflux ratio to vary. We should
provide ASPEN Plus with a range for the potential variations. Let us choose a variation range
for the distillate flowrate between 25,000 and 55,000 lb/hr and a reflux ratio between 0.8 and
2.0. Solve this problem and note the condenser and reboiler duties. Discuss your results.

68


PART B
For the same design specifications, specify a 65% Murphree efficiency for each tray.
Assume the reboiler to have a stage efficiency of 90%.
Note the condenser and reboiler duties. Discuss your results.
PART C
Perform tray sizing calculation for the entire column, given that Bubble Cap trays are
used. Describe the diameter profile throughout the column.


Reboiler
(Stage #40)
Feed:
63.2 wt% Water
36.8 wt%Methanol
Flowrate = 120,000 lb/hr
Pressure = 18 psia
Saturated Liquid
38
Trays
Feed
Tray =
23
i.e., stage
#24
Pressure =
16.1 psia
Total
Condenser
99.95 wt.% methanol
Distillate flowrate?
Reflux ratio ?
99.90 wt.% water

Fig. IV.1. DesignSpec - Vary Problem



Part 2 |

69

Start by opening your file from Workshop #3. From the Data Browser, go to Blocks
DIST-COL Design Specs (Fig. IV.2).

Fig. IV.2. Design Specs Form

Click on New, you'll get the window shown in Fig. IV.3.


Fig. IV.3. Create New ID






70


Click on OK. You will get the window shown in Fig. IV.4.

Fig. IV.4. Selection of First Design Specification
Select mass purity as your first design specification and enter 0.9995 as a target.

Click on the Next button, you will get the Components sheet. Use this sheet to select
components and base components for the purity specification. The available components and
base components appear on the left side of the list. The selected components appear on the
right side of the list. Highlight methanol and click on > to move it to the left hand side.
Methanol is selected since the purity (0.9995) is for methanol. It is defined as 0.9995 =
methanol in distillate/(methanol + water) in distillate. Therefore, our base components are
methanol and water. To select both as the base components, use the >> button (Fig. IV.5).

.
Fig. IV.5. Selection of Components

Part 2 |

71

Click on Next button to go to the Stream sheet. Since the 0.9995 methanol purity is
in the distillate, select stream S2 (Fig. IV.6).

Fig. IV.6. Selection of Distillate
Now, we can move to the Vary sheet by clicking on Next. Follow procedure (Fig.
IV.7) and choose Distillate Rate between 25,000 and 55,000 lb/hr.


Fig. lV.7. The Vary Form

If you click Next, ASPEN Plus will indicate that you are ready to run the simulation.
Do not click on OK since we still need to enter another design specification (water purity in
the bottoms). Click on Cancel, then go to the Design Specs sheets (as before) and choose
72


water purity in the bottoms to be 0.999. Similarly, select the second Vary variable to be
reflux ratio between 0.8 and 2.0. Now, you are ready to run the simulation.

PART : 5TAGE EFFlClENCY
Fron lhe Dala rowser, go lo locks DlST-COL Llliciehcies (Fig. lV.8).
Selecl Murphree Lllicihcy ahd Specily Slage Llliciehcy.

Fig. lV.8. Efficiencies
Click oh lhe Vapor-Liquid Oplioh ahd ehler slage elliciehcies. ll you ehler
0.65 lor slage 2 lheh 0.65 lor slage 39, ASPLN Plus will assune lhal lhe elliciehcy
lor slages 2 - 39 is 0.65 lhroughoul. Lhler elliciehcy ol 0.9 (Fig. lV.9) lor lhe
reboiler (slage #40). Now, you are ready lo ruh lhe sinulalioh.

Part 2 |

73


Fig. lV.9. Entering 5tage Efficiencies


PART C: TRAY 5lZlNG
Fron lhe Dala rowser, go lo locks DlST-COL Tray Sizihg (Fig. lV.10).
Click oh New.

Fig. lV.l0. Tray 5izing
74




Fig. lV.ll. 5ection Number

Selecl bubble cap lor slage 2 - 39 (Fig. lV.12).

Fig. lV.l2. Tray 5izing

Part 2 |

75


Workshop #5
SENSITIVTY ANALYSIS

Sensitivity analysis is a useful tool for examining how a process responds to changes
in design and operating variables. You can use it to vary one or more process variables and
observe the effect of such variation on other process variables. It is a valuable tool for
performing "what if" studies. In a sensitivity analysis, you will have two types of variables:
1. Manipulated variables: These are the ones you would like to vary (i.e., they are your
input
7
variables).
2. Sampled (or measured) variables: These are the ones you would like to see how they
change in response to the changes you made in the manipulated variables (i.e., they are your
output of variables).

Here is an example on how sensitivity analysis works:
PART A:
Let us revisit the flash column of Workshop II which is used to separate a gas mixture
into liquid and vapor fractions. The feed is at 400
o
F and 21 atm (Fig. V.1a). It contains
hydrogen (30.0 lbmol/hr), nitrogen (15.0 lbmol/hr), methane (43.0 lbmol/hr), cyclohexane
(144.2 lbmol/hr), and benzene (0.2 lbmol/hr). The flash column operates at 120
o
F and there is
no pressure drop in it. The liquid entrainment in the vapor phase from the separator is 0.012.
The flash column can be modeled by ASPEN Plus' model FLASH2 and the thermodynamic
properties can be estimated using the Redlich-Kwong-Soave equation.

Develop a plol showihg lhe ellecl ol varyihg lhe llash lenperalure belweeh
120
o
F ahd 400
o
F oh lhe vapor lraclioh ol lhe uhil (where lhe vapor lraclioh ol lhe
uhil is delihed as.

7
The flowsheet variables that are varied must be inputs to the flowsheet. They can not be variables that are
calculated during the simulation.
76


column the entering feed the of flowrate
column the of top the leaving vapor the of flowrate
). Use the plot to determine the dew point
of the feed. Compare with results of the heating curve of Workshop #2.

Feed
S1
400
o
F
21 atm.
Hydrogen = 30.0 lbmol/hr
Nitrogen = 15.0 lbmol/hr
Methane = 43.0 lbmol/hr
Cyclohexane = 144.2 lbmol/hr
Benzene = 0.2 lbmol/hr
High
Pressure
Flash
(no pressure
drop)
Vapor
S2
Liquid
S3

Fig. V.la. FIash 5eparation Process
PART :
This part is open ended and is based on Workshop #3. A distillation column is used to
fractionate methanol and water mixture (Fig. V.1b). The feed has 63.2 wt% water and 36.8 wt%
methanol. The flowrate of the feed is 120,000 lb/hr. Its pressure is 18 psia and is a saturated
liquid (vapor fraction of the feed = 0). The column has 38 trays. The feed is introduced above
tray #23 (Now, remember according to ASPEN's terminology: stage #1 is the condenser,
therefore the feed tray is stage #24). The top-stage pressure is 16.1 psia and the pressure drop
per stage is 0.1 psi. The column uses a total condenser. The distillate flowrate is 39,885 lb/hr
and the reflux ratio is 1.3. Use NRTL-RK property method.


Part 2 |

77

Reboiler
(Stage #40)
Feed:
63.2 wt% Water
36.8 wt% Methanol
Flowrate = 120,000 lb/hr
Pressure = 18 psia
Saturated Liquid
38
Trays
Feed
Tray =
23
i.e., stage
#24
39,885 lb/hr
Reflux ratio = 1.3
Pressure =
16.1 psia
Total
Condenser

Fig. V.1b. Methanol Separation from Water

sihg sinulalioh resulls as well as sehsilivily ahalysis, inprove colunh
elliciehcy ahd cosl. Suggesl lwo chahges al leasl. llluslrale all your
inprovenehls by sehsilivily-ahalysis plols.



lN5TRUCTlON5 FOR PART A
Fron lhe File nehu, opeh lhe lile you saved lor Workshop #2.
Fron Dala, go lo Model Ahalysis Tools, ahd selecl Sehsilivily (Fig. V.2).
78



Fig. V.2. 5tarting a 5ensitivity AnaIysis
You will gel lhe Sehsilivily Dala rowser wihdow (Fig. V.3).

Fig. V.3. 5ensitivity Data rowser Window
Click oh New. ASPLN Plus will suggesl a lille lor lhe sehsilivily ahalysis you are
aboul lo uhderlake (Fig. V.4).
Part 2 |

79


Fig. V.4. TitIe of 5ensitivity 5tudy
Click oh O.K. Now, you will gel lhe Sehsilivily Dala rowser lorn (Fig. V.5). There
are lhree inporlahl labs oh lhis lorn.
x Define. ih which you delihe lhe neasured variable
x Vary. ih which you delihe lhe nahipulaled variable
x TabuIate. where you describe how you wahl your resulls

The lorn will be lirsl oh lhe Delihe lab givihg lhe wihdow lor lhe sampIed
(measured or output) variabIe (Fig. V.5). You heed lo delihe which variable is
your sanpled variable. So, click oh New.
80


Fig. V.5. The Measured VariabIe Form

As ihdicaled ih lhe Workshop slalenehl, we would like lo have lhe vapor
lraclioh ol lhe uhil (delihed as S2/S1) lo be our neasured variable. ul sihce S1
is cohslahl (-232.4 lbnol/hr), lherelore our neasured variable is S2 (divided by
232.4). Lel us give il a hane (should hol exceed 6 characlers). Lel us call il
S2FLOW (Fig. V.6.).


Fig. V.6. Naming the Measured variabIe
Part 2 |

81


Click oh O.K. Now, we will gel a lorn requeslihg ihlornalioh oh lhis neasured
variable. The lirsl lhihg we have lo delihe is whal lype ol variable is il7 lh olher
words, does lhis variable belohg lo a uhil (block), a slrean, elc. Sihce ih lhis case,
our variable is S2 (aclually, il is S2/S1 bul S1 is lhe leed ahd il is cohslahl = 232.4
lbnol/hr hol a variable), lherelore, click oh Slrean-Var (slrean variable) as showh
ih Fig. V.7.


Fig. V.7. 5eIecting Type of ManipuIated VariabIe

Ohce you do lhal, ASPLN Plus will creale a lield lor which slrean lhis
variable is relaled lo. Selecl S2 (Fig. V.8).
82



Fig. V.8. 5eIecting VariabIe-reIated 5tream
Nexl, we delihe lhe halure ol lhal variable. Selecl nolar llowrale (MOLL-
FLOW) as showh ih Fig. V.9.

Fig. V.9. 5eIecting Nature of the VariabIe
Part 2 |

83


Nolice lhal lhe lorn ahd lhe variable how have lhe synbol ol lorn
conplelioh . Click oh lhe Nexl bulloh lo
proceed. We gel lhe Sehsilivily Dala rowser Forn agaih (Fig. V.10). Sihce ih lhis
problen, we are ihleresled ih ohe nahipulaled variable ohly, lhere is ho heed lo
delihe hew nahipulaled variables (olherwise, we would have clicked oh New ahd
repealed lhe previous procedure lor aholher nahipulaled variable).

Fig. V.l0. The 5ensitivity Data rowser
Nolice lhal lhe Delihe lab ihdicaled lhal all required dala lor lhe
neasured variable are how conplele ( ). We are how ready
lo proceed lo lhe nahipulaled variable by clickihg oh lhe Vary lab. You will gel
lhe wihdow showh ih Fig. V.11. lh lhis workshop, our nahipulaled variable is lhe
84


lenperalure ol lhe llash block. Therelore, selecl lhe lype ol variable lo be lock
Variable (Fig. V.11).



Fig. V.ll. 5eIecting the Type of the ManipuIated VariabIe

Selecl lhe block lo be HP-SLP (lhe llash) ahd lhe variable lo be lhe
lenperalure ol lhe llash (Fig. V.12).
Part 2 |

85


Fig. V.l2. 5eIecting the ManipuIated VariabIe
Selecl Overall Rahge ahd lype lhe lower ahd upper bouhds oh
lenperalure varialioh (belweeh 120 ahd 400
o
F). Also, selecl lhe ihcrenehls ol
lenperalure al which you wahl lhe resulls reporled (e.g., every live degrees).

Fig. V.l3 5pecifying Range and lncrements
86


Nolice lhal lhe Vary lorn is how conplele ahd we are ready lo nove lo
lhe Tabulale lorn by clickihg oh lhe Tabulale lab. Sihce we are ihleresled ih
S2/S1 (where S1 is 232.4 lbnol/hr), our neasured variable lo be lisled
8
ih colunh
1 ol lhe sehsilivily ahalysis should be S2FLOW/232.4 (holice you cah have Forlrah
expressioh hol jusl sinple variables) as showh ih Fig. V.14.

Fig. V.l4 TabuIated VariabIe

You are how ready lo ruh your sinulalioh. Wheh you gel your resulls, go lo lhe
resulls ol lhe sehsilivily ahalysis (Fig. V.15).


8
If you forgot what the name(s) of your measured variable(s), click on the right button of the mouse to get a list
of variables
Part 2 |

87


Fig. V.l5. ResuIts of the 5ensitivity AnaIysis
se lhe plol lool lo graph lenperalure vs. vapor lraclioh (S2FLOW/232.4)
ahd conpare wilh your resulls lron Workshop #2.

PART :
You're oh your owh!

88



Workshop #6
Heat Exchangers

Aspeh Plus has several block opliohs lor heal-exchahge equipnehl. These ihclude.
x Healer. which cah sinulale a heal exchahge. Dala oh eilher lhe hol or cold side ohly is
required. This is lhe case wheh ohly ohe side (hol or cold) is inporlahl. The olher side
is lypically a hol or cold ulilily.
x HealX. which cah sinulale a heal exchahger. Dala oh bolh lhe hol ahd cold slreans
nusl be provided. Two nodes lor HealX cah be used, (1) Sinplilied (basically a heal
balahce calculalioh) wheh lhe geonelry ol lhe exchahger is uhkhowh or uhinporlahl ahd
(2) Rigorous (where pressure drop calculaliohs ahd heal exchahger geonelry are
perlorned ih addilioh lo heal balahce). For HealX, you heed lo specily heal lrahsler
area or geonelry, exchahger duly, or ihlornalioh oh oullel slrean (e.g., lenperalure,
lenperalure approach, vapor lraclioh, elc.).
x Specialized heal exchahgers ihclude Helrah, Aerolrah, ahd MhealX (nullislrean heal
exchahger).

The objeclive ol lhe workshop is lo sinulale lhe perlornahce ol a heal exchahger usihg lhe
sinplilied versioh ol HealX.
Dala ol hol slrean lo be cooled.
Tenperalure 200qC
Pressure 4 ar
Flowrale 10,000 kg/hr
Conposilioh (wl%) ehzehe (50%), Slyrehe (20%), Llhylbehzehe (20%), ahd Waler (10%)
Dala oh coolihg waler.
Tenperalure - 20qC
Pressure 10 ar
Flowrale 60,000 kg/hr
Conposilioh 100% Waler

Thernodyhanic nodel NRTL-RK
Pressure drop Zero (lor each side)
Valid Phases Vapor-Liquid-Liquid

Part A: HeatX ModeI: Cohsider lhe HealX block showh ih Fig. 1.



Part 2 |

89






Fihd lhe heal duly ahd oullel lenperalure ol lhe coolihg waler ahd plol lenperalure ol lhe hol
slrean vs. heal dule lor lhe lollowihg cases.
Case l. oullel lenperalure ol lhe hol slrean is 120qC
Case ll. oullel hol slrean has a vapor lraclioh ol zero (saluraled liquid)
Case lll. heal exchahger area is 500 ll
2


Part : Heater ModeI: we cah represehl lhe sane process usihg lwo Healer blocks cohhecled
wilh a Heal slrean (see Fig. 2).
sihg lhe lwo Healers cohhecled wilh a heal slrean, lihd lhe heal duly ahd oullel lenperalure
ol lhe coolihg waler il lhe oullel lenperalure ol lhe hol slrean is 120qC.
Vl 1
Fig..1 HeatX Flowsheet
Fig.. 2. Two Heater Blocks
90



Hints
Hints for HeatX: you cah ehler lhe oullel lenperalure, oullel vapor lraclioh, or heal-exchahger
area oh lhe lock Selup lorn uhder Lxchahger Specilicalioh (Fig. 3).


To develop lhe healihg curve, renenber lo use lhe Hcurves oplioh uhder block (Fig. 4).

Vl 2
Fig..3. Block Specifications
Fig.. 4. Hcurve Option
Part 2 |

91

Hints for Heater:
Firsl use Healer blocks ahd nalerial slreans lo draw lhe hol ahd cold sides as well as lhe hol
ahd cold slreans (Fig. 5).




Fig..5. Drawing Units and Material Streams
Nexl, selecl a Heal slrean lo cohhecl lhe lwo sides ol lhe exchahger by lrahslerrihg heal duly
(Figs. 6 ahd 7).


Fig.. 6. Selection of a Heat Stream

Vl 3
92



Fig.. 7. Connection of the Two Sides of the Exchanger via a Heat Stream


Vl 4
Part 2 |

93

Workshop #7
Production of Cyclohexane

A plant produces cyclohexane by the hydrogenation of benzene according to the
following reaction:

C
6
H
6
-3 H
2
C
6
H
12
Lq. 1

The process is shown below in Figure 7.1:


Fig. .1.

The reaclahls are prehealed ahd lheh led lo lhe reaclor. The liquid
producl lron lhe reaclor is led lo a separalor where il is splil ihlo a liquid ahd a
vapor slrean. The vapor phase ahd lhe liquid phase are lheh parlially recycled
lo ihcrease cohversioh ih lhe reaclor. The vapor lraclioh hol recycled becones
ohe ol lhe producls. Meahwhile lhe porlioh ol lhe liquid phase hol recycled is
sehl lo a dislillalioh colunh lo renove lhe lighl ehds ahd slabilize lhe liquid
producl (cyclohexahe).

This workshop will demonstrate the capability to merge two smaller simulations into
one complex simulation. Workshops #2 and #3 will be the basis for this simulation. RK-
Soave model can be used to predict the properties. Assume molar basis unless specified
otherwise.


94


Feed 5treams (MATERlAL):

Slrean S1: 120qF, 335 psia, llowrale belweeh 250-350 lbnol/hr (ihilial
guess 300 lbnol/hr), Conposilioh. 97.5% H
2
, 2.0% CH
4
, 0.5% N
2
.

Stream S2: 100qF, 15psia, 100 lbmol/hr (100%C
6
H
6
).

Heater (HEATER):

Mixes the recycle and feed streams and preheats them to 300qF and 330 psia.
Reactor (R5TOlC):

Operates at 400qF and has a pressure drop of 15 psia. Conversion of benzene is
99.8% considering only the main reaction, Equation 1.

Separator (FLASH2):

Splits the product stream into two streams: vapor and liquid (cyclohexane rich)
streams. It is operated at 120qF and has a pressure drop of 5 psia.

Distillation Column (RADFRAC):

Purifies the content of cyclohexane in the liquid stream. The column has 15 stages
including a partial condenser and reboiler. The feed stream is located above the 8
th
tray.
The column operates at 200 psia. Assume the condenser temperature is 20qF and the reflux
ratio is 1.2 (molar basis). In the bottom product, it is desired to recover 99.99% (mol
recovery) of cyclohexane from the feed. The bottom flowrate is estimated to lie between
97.0 and 101.0 lbmol/hr (initial guess 97.0 lbmol/hr).

Flow Splitters (SSPLIT):

Vapor Stream (Split 1): Splitting ratio of recycle is 0.92.

Liquid Stream (Split 2): Splitting ratio of recycle is 0.30

Misc:

To increase the conversion of benzene to cyclohexane in the reactor it is desired to
have 10% excess of H
2
in the feed stream to the reactor (S3). The flowrate of makeup H
2

(S1) can be adjusted to satisfy the excess requirement.

Turn In:

1. The Aspen Plus flowsheet and stream table.
Part 2 |

95


2. The heat duties of the heater and reactor.

3. The heating curve of the heater and the flash separator.

4. The actual flowrates of make-up H
2
and cyclohexane product.






Merging the Flowsheets:

1. In order to avoid any conflicts in nomenclature you should first modify
workshops #2 and #3 by renaming the streams and blocks so that they do not have
the same IDs. (You may still have some problems merging the flowsheets.
However, Aspen Plus will allow you to change any duplicate information prior to
merging the files.

2. Select Export from the File pulldown menu and then export one of the files as a
BKP file. (If you have been saving your files in backup format as you should
have then skip this step).

3. Open the other workshop and then import the BKP file created in step 2 by
selecting Import from the File

pulldown menu.

4. Modify the data and connections based on Figure 7.1 and the data provided. To
modify connections you can either double click on a stream end if it is not
connected to anything or at anytime you can highlight and right click on the
stream and choose either reconnect source or reconnect destination.

5. Finally, after merging the two simulations save your modified flowsheet as
Wkshop7. (This will preserve workshops 2 and 3 as separate entities and allow
you to access them again if something were to go wrong in this workshop).

To complete the flowsheet you will have to use several icons you have not previously
used. In the information provided about each unit the name in parenthesis shows you the
icon set to choose from. For example, to select your reactor you would go to the Reactors
tab and then the RSTOIC icon. This provides you with several choices of icons; simply
choose the one that looks like the one seen in Figure 7.1. Also, when choosing the splitters
be sure to use the DOT icon under SSPLIT. Remember, if you place your pointer over an
icon or feed/product arrow it will tell you the name or information about the connection.

Filling in the Forms:

Because this workshop is designed to show you that two workshops can be merged a
considerable amount of information in your data browser will be incorrect. For example,
96


the number of stages in your distillation column will probably be 40 or some optimized
number other than 15. Also, you will have chemicals specified from previous workshops
that are unnecessary (i.e. methanol, water), you will have to remove them from your
simulation. Because of this it is your job to judiciously go through all the tabs in the data
browser to ensure that all the information is correct. This will not be done using the Next
button; rather you should use the advance button >> so that every form is checked.





Reactors:

When you reach the reactor block you will need to specify several pieces of
information. The specifications tab will ask for temperature and pressure, information
provided to you at the beginning of this workshop. The second tab reactions (Figure 7.2)
will require you to input in the reaction (Equation 1) and the stoichiometric coefficients.


Fig ..2.

To do lhis lirsl selecl New lron Figure 7.2. This will brihg up Figure 7.3.

Part 2 |

97


Fig .3.
From this window you can select the reactants, products, coefficients and percent
conversion. When you click on the component box a drop down arrow appears that allows
you to select components. When this information is inputted properly it will look like
Figure 7.4.

Fig. .4.

Note that reactant coefficients are negative and product coefficients are positive. Click the
Next button or the Close button to proceed past the reactors form.

Splitters:

98


The split blocks will also need some information specified in them, which was
provided earlier in the workshop. Figure 7.5 shows the specifications tab of Split1 properly
completed.


Fig ..5.
Nole lhal lhe Specilicalioh is based oh Splil Fraclioh ahd lhal lhe slrean ol
ihleresl S11 is ih lhe Slrean hanes box. The drop dowh arrow ih lhe Slrean
hanes box has lo slreans, S11 ahd S10. 5ll is choseh because il is lhe recycIe
slrean ahd lhe ihlornalioh provided says lhal lhe splil ralio lor recycIe is lo be
0.92.

5pecifying l0% Excess H
2
in 53

To make sure that there is 10% excess Hydrogen present in the reactor feed you can
again use the Design Spec feature of Aspen. Recall that Design Spec is located in the
Flowsheeting Options folder. From the Design Spec folder start a new design spec (DS-1)
and define two variables, MH2 and MC6H6. These variables can be defined as: Type (Mole
Flow), Stream (S3), and Component (Hydrogen or Benzene) depending on the variable name.
Next, Figure 7.6 shows the spec tab properly filled in:

Part 2 |

99


Fig. .6.

The specilied variable should be MH2, lhe nolar llow ol Hydrogeh. The largel
should be sel as 3.3MC6H6, or 3.3 lines lhe nolar llow ol behzehe, ahd lhe
lolerahce should be sel as 0.001MC6H6. Theh, you should specily lhe Vary
variable lron lhe Vary lab, Figure 7.7.


Fig .7.
The vary variable specilies lhe nolar llowrale rahge ol lhe nakeup H
2
slrean (S1).
Some results are seen below in Figures 7.8 and 7.9. These results should only be
used for comparison to determine if you are on the right track with your simulation.

100



Fig. .8.


Fig ..9.






Part 2 |

101

Workshop #8
Simulating a Distillation Column for Crude Oil

A forty-stage distillation column (including a reboiler and a total condenser) is used
to fractionate a crude oil stream with a flowrate of 100 lb/hr. The stream enters the column
on stage 20 at 250qF and 23 psia. The column has two side draws, both for fuel grade
products, one of them above the feed stream (use stage 10 as an initial guess) and one below
the feed stream (use stage 30 as an initial guess). The reflux ratio of the column is 2.0, the
bottoms rate is 32.5 lb/hr, and the column operates at 23 psia. The flowsheet is shown in fig
8.1. The RK-SOAVE method can be used to model this system.

y ahalysis ol lhe leed, lhe lollowihg dala is acquired.

Anericah Pelroleun lhslilule (APl) Cravily = 22.3
Dislillalioh based oh lhe True oilihg Poihl (oh a weighl basis)

15.2 % 250-350qF
23.5 % 250-450qF
67.5 % 250-650qF
100 % 250-723qF


Fig .1.
102


Turn ln:

1) The Aspen Plus flowsheet and stream summary table.

2) The lenperalure prolile ih lhe colunh.

3) The heal dulies ol lhe cohdehser ahd reboiler.

4) The slage hunbers ahd slage lenperalures lor lhe bollons, dislillale
ahd bolh side draws.

lnstructions:

Flowsheet

To simulate the column described you will need to use a RADFRAC column, Icon
FRAC1, with one feed stream and four product streams (distillate, bottoms, and two side
draws). When attaching the side draws you will notice two blue arrows that you can attach
streams to in the middle of the column, be sure to attach both side draws to the upper blue
arrow. This arrow is for side products, the lower blue arrow is for psuedo-streams and will
not be used in this workshop (note if you place your mouse icon over the arrow when you
have material streams selected it will specify the stream to be attached). The flowsheet is
shown in fig 8.1.

Setup

Now that the flowsheet is ready you can enter the data browser and begin setting up
the simulation. By using the next button you will come to the component specifications
section. Instead of specifying components for this lab we will be specifying an Assay Blend.
Directly below component specifications on the data browser you will see a folder
Assay/Blend. Double click this folder and select new, then select Assay and click O.K, fig
8.2.

Part 2 |

103


Fig. .2.
This will bring you to fig 8.3 where you can specify the API gravity, distillation method and
characterize your Assay blend.


Fig.. 3.

For leeds wilh a wide rahge ol boilihg poihls, like lhis ohe, Aspeh Plus will
lake lhe ihlornalioh provided by your delihilioh ol lhe conpohehl ahd divide il
ihlo nahy culs lor a nore realislic dislillalioh sinulalioh. To specily a rahge ahd
hunber ol culs we heed lo look oh lhe dala browser ahd opeh lhe Pelro
Characlerizalioh lolder ahd lheh lhe Ceheralioh lolder. lh lhe geheralioh lolder
selecl hew ahd lheh click O.K., ligure 8.4.

104



Fig. .4.

This will bring you to figure 8.5 seen below:


Fig ..5.

lh lhis seclioh you will specily lhe hunber ol culs ahd lhe lower ahd upper
bouhds ol lhese culs. To begih you lirsl have lo selecl which assay/blehd you
are specilyihg. This cah be dohe by clickihg oh lhe drop dowh arrow uhder
Assay/lehd lD, lig 8.5, ahd seleclihg lhe ohly blehd presehl, A-1 uhless you
chahged il. Nexl, selecl lhe Culs lab seeh ih lig 8.5 ahd specily lhe lower ahd
upper bouhds, ahd lhe hunber ol culs, see lig 8.6.

Part 2 |

105


Fig ..6.

Having defined the crude you can now allow aspen to guide you through the rest of
the setup. When you reach the column streams setup you will need to specify a stage, phase
and flowrate for your two side streams. These should be specified as 10, liquid, and 8.3
lb/hr for SID1, and 30, liquid, and 44 lb/hr for SID2, see figure 8.7.


Fig ..7.
Finally, when you have completed entering in your data and aspen tells you all
required input is complete, you can run the simulation now hit cancel. Aspen has a wide
variety of convergence methods available, however, the standard method is not the best for
this particular situation. To change the convergence method on the data browser go to your
block setup, figure 8.8, and select Custom.

106



Fig. .9.

Now, scroll dowh your dala browser uhlil you cone lo cohvergehce, which is
wilhih lhe locks, 1, lolder, ligure 8.10.


Fig. .10.
hder lhe algorilhn selecl Sun-Rales wilh lhe drop dowh arrow, ahd lheh uhder
ihilializalioh nelhods selecl, Crude wilh lhe drop dowh arrow, ligure 8.11.

Part 2 |

107


Fig. .11.
You are now ready to run your simulation!

Column Definition

It is desired to break the crude stream into four valuable product streams as defined
by the analysis data naphtha (BP 250qF 350qF), jet fuel (BP 350qF 450qF), diesel (BP
450qF - 650qF), and heavy crudes (BP > 650qF). To achieve this you will need to fine-tune
your column.

The amount of each component in the feed can be determined by examining the
analysis data. For example, the percent of diesel would be the 67.5 % less the amount of
naphtha and jet fuel, 23.5 %, giving 44 %. Therefore, this percent of the feed stream needs
to be withdrawn from the column on a stage where the temperature is between 450qF and
650qF. Similarly, the heavy crudes can be determined to be 32.5 % of the feed, which can
then be specified as the bottoms flowrate. The jet fuel, calculated like the diesel (8.3 %),
and the diesel are specified as side draws at approximate locations. To get the correct feed
and side draw locations, the simulation can be run repeatedly, varying a side draw or the
feeds location one stage at a time (in this simulation only vary the side draws.) until the side
draws pull from the correct temperature ranges, and the distillate and bottoms flows match
their expected values. Examining the temperature profile in a column without side streams
is often a way to determine an approximate location for the initial guesses for the locations of
the side draws. (Possible solutions include side draws at 10 and 31, 10 and 32, 11 and 31,
etc. Start at 10 and 30.).

108


Workshop #9
Simulating a Stripper for Wastewater Treatment


A lhree-slage slrippihg colunh is used lo separale bulahol (C
4
H
10
O) lron
a waslewaler slrean, Lih, havihg a llowrale ol 20,656 lb/hr. The waslewaler
slrean ehlers lhe slripper al 170 qF, 30 psia, ahd cohlaihs 2000 ppn ol bulahol.
Slrean Cih, conposed ol slean is used lo renove lhe bulahol lron lhe
waslewaler slrean ahd ehlers al 400 qF, 110 psia, ahd wilh a llowrale ol 2000
lb/hr. The colunh is operaled adiabalically al 30 psia. The purpose ol lhis lab
is lo sinulale lhe separalioh ahd size lhe colunh usihg Aspeh Plus.










Fig..1. Stripper Flowsheet


The RADFRAC model should be used with icon ABSBR1 (the icon shows no
condenser or reboiler). Also, the UNIFAC thermodynamic property model should be used.

Column Specifications

Oh lhe colunh you should specily hohe lor lype ol cohdehser ahd
reboiler. Lih should ehler On-stage 1, ahd Cih should ehler On-stage 3. hder
lhe Tray Sizihg lolder louhd ih lhe blocks/slripper seclioh you should specily
sieve lrays wilh 2 lool spacihg belweeh lrays. Tray sizihg should be perlorned
over lhe ehlire colunh.
Part 2 |

109


Turn In:

1) The Aspeh Plus llowsheel ahd slrean lable.

2) The bulahol renoval (%) achieved ih lhe slripper.

3) The resullihg colunh dianeler

4) The conposilioh prolile ol lhe bulahol ih lhe liquid phase wilhih lhe slripper

110


Workshop#l0 G
An Absorber-5tripper Process for CO
2
Capture Using MEAG
G
Fig..1 . An Absorber-Stripper Process for CO
2
Capture Using MEA

G
5treamG DataG
FLLCASG 1 aln, 50 , 10 knol/h, 10 nol% CO
2
, 70 nol% N
2
, 12 nol% O
2
, 8 nol% H
2
OG
ADDG 1 aln, 35 , 1 knol/h, 20 wl% MLA, 80 wl% H
2
OG
IockG DataG
ASORLRG 5 slages, 1 alnG
STRlPPLRG 10 slages, 2 aln, Dislillale rale = 3 knol/h (VAPOR)G
FLASHG 2 aln, 30 G
COOLLRG 1 aln, 35 G
PMPG Discharge pressure = 2 alnG
MlXLRG 1 alnG
SPLlTTLRG Splil lraclioh lor PRCL = 0.01G
G
G
FLUEGAS
LEANIN
PUREGAS
RICHOUT
LEANOUT
PURGE
RECYCLE
COOL
REFLUX
RICHIN
VAPOR
CO2
ADD
ABSORBER
SPLITTER
COOLER
STRIPPER
FLASH
MIXER
PUMP
Part 2 |

111

G
Cuidelihe
MLA CO2 Aspeh Plus . PRCL slrean
.

.
1. Properly nelhod AMlNLS
2.
3. Dala->Cohvergehce->Cohv Opliohs Melhods
Wegsleih 30 300
4. Dala->Cohvergehce->Tear LLANlN Tear slrean
LLANlN ihilial guess .
35 , 1 , 100 knol/h, MLA 15 wl%, H2O 85 wl%









112


Workshop # ll
Phase equiIibrium (azeotrope case)

Llhahol waler . 60C P-x-y
(Pressure, ) diagran
.
- Properly nelhod NRTL nodel . .

)
1. ruh lype

Fig.Xl.1.
-Selup/Specilicalioh ruh lype Properlies Plus .

Part 2 |

113

2. Conpohehl

Fig.Xl.2.
-Conpohehls/Specilicalioh conpohehl . elhahol
waler .

114


3. Properly nelhod

-Properlies/specilicalioh properly nelhod NRTL .

Part 2 |

115


-Properlies/Paranelers/ihary lhleraclioh NRTL bihary paraneler
.
4.

Fig.Xl.5.
- Tools->Ahalysis->Properly->ihary
.
116



-Ahalysis lype Pxy 60C
. Co .
5.

Part 2 |

117

- bihary ahalysis resull
.

Fig.Xl.8
- Pxy Pxy diagran . 60C elhahol-waler syslen
0.47bar 0.925 .

118


Whal s Pun Types ?
Use lhe Flowsheel run lype lor llowsheel smulalons (ncludnq senslvly
sludes and oplmzalon). Flowsheel runs can also nclude lhe lollownq
calculalons nleqraled wlh a llowsheel smulalon
x Properly conslanl eslmalon
x Assay dala analyssipseudocomponenls qeneralon
x Properly analyss
Clher run lypes are used lo run Aspen Plus wlhoul perlormnq a
llowsheel smulalon
Pun Type Oescrplon Use lo
Assay Oala
Analyss
A slandalone assay dala
analyssipseudocompon
enls qeneralon run
Analyze assay dala when you do nol
wanl lo perlorm a llowsheel smulalon
n lhe same run.
Oala
Peqresson

A slandalone dala
reqresson run. Can
conlan properly
conslanl eslmalon and
properly analyss
calculalons.
Fl physcal properly model paramelers
reoured by Aspen Plus lo measured
pure componenl. VLE. LLE and olher
mxlure dala. Aspen Plus cannol
perlorm dala reqresson n a Flowsheel
run.
Properles
Plus

A Properles Plus selup
run

Prepare a properly packaqe lor use wlh
Aspen Cuslom Modeler. wlh lhrd parly
commercal enqneernq proqrams. or
wlh your company's n house
proqrams. You musl be lcensed lo use
Properles Plus.
Properly
Analyss

A slandalone properly
analyss run. Can
conlan properly
conslanl eslmalon and
assay dala analyss
calculalons.
Perlorm properly analyss by qeneralnq
lables ol physcal properly values when
you do nol wanl lo perlorm a llowsheel
smulalon n lhe same run
Properly
Eslmalon
A slandalone properly
conslanl eslmalon run
Eslmale properly paramelers when you
do nol wanl lo perlorm a llowsheel
smulalon n lhe same run.


Part 2 |

119

PART
3

122



Unit Operation ModeI Types

G Mixers/Splillers
G Separalors
G Heal Lxchahgers
G Colunhs
G Reaclors
G Pressure Chahgers
G Mahipulalors
G Solids
G ser nodels


Relerehce.
The use ol specilic nodels is
besl described by lhe ohlihe
Help ahd ih lhe docunehlalioh,
ihcludihg lhe Aspeh Plus hil
Operalioh Models Relerehce
Mahual
Part 3 |

123

Mixers/5pIitters


ModeI Description Purpose Use
Mixer Slrean nixer Conbihe nulliple
slreans ihlo ohe
slrean
Mixihg lees, slrean
nixihg operaliohs,
addihg heal slreans,
addihg work slreans
FSplil Slrean spliller Splil slrean llows Slrean splillers, bleed
valves
SSplil Subslrean spliller Splil subslrean llows Solid slrean splillers,
bleed valves
124


5eparators

ModeI Description Purpose Use
Flash2 Two-oullel llash Delernihe
lhernal ahd
phase cohdiliohs
Flashes, evaporalors, khockoul
druns, sihgle slage separalors,
lree waler separaliohs
Flash3 Three-oullel
llash
Delernihe
lhernal ahd
phase cohdiliohs
Decahlers, sihgle slage
separalors wilh lwo liquid
phases
Decahler Liquid-liquid
decahler
Delernihe
lhernal ahd
phase cohdiliohs
Decahlers, sihgle slage
separalors wilh lwo liquid
phases ahd ho vapor phase
Sep Mulli-oullel
conpohehl
separalor
Separale ihlel
slrean
conpohehls ihlo
ahy hunber ol
oullel slreans
Conpohehl separalioh
operaliohs such as dislillalioh
ahd absorplioh, wheh lhe
delails ol lhe separalioh are
uhkhowh or uhinporlahl
Sep2 Two-oullel
conpohehl
separalor
Separale ihlel
slrean
conpohehls ihlo
lwo oullel
slreans
Conpohehl separalioh
operaliohs such as dislillalioh
ahd absorplioh, wheh lhe
delails ol lhe separalioh are
uhkhowh or uhinporlahl



Part 3 |

125

Heat Exchangers
ModeI Description Purpose Use
Healer Healer or
cooler
Delernihes lhernal
ahd phase cohdiliohs
Healers, coolers, valves, nixers.
Punps ahd conpressors wheh
work-relaled resulls are hol
heeded
HealX Two-slrean
heal
exchahger
Lxchahge heal
belweeh lwo slreans
Two-slrean heal exchahgers.
Ralihg shell ahd lube heal
exchahgers wheh geonelry is
khowh
MHealX Mullislrean
heal
exchahger
Lxchahge heal
belweeh ahy hunber
ol slreans
Mulliple hol ahd cold slrean
heal exchahgers. Two-slrean
heal exchahgers. LNC
exchahgers
Helrah lhlerlace lo
-JAC
Helrah
Desigh ahd sinulale
shell ahd lube heal
exchahgers
Shell ahd lube heal exchahgers
wilh a wide variely ol
cohliguraliohs
Aerolrah lhlerlace lo
-JAC
Aerolrah
Desigh ahd sinulale
air-cooled heal
exchahgers
Wide variely ol air-cooled heal
exchahgers cohliguraliohs.
Model ecohonizers ahd lhe
cohveclioh seclioh ol lired
healers
HXFlux Heal
lrahsler
calculalioh
nodel
Models cohveclive
heal lrahsler belweeh
a heal sihk ahd a heal
source
Delernihes lhe log-neah
lenperalure dillerehce, usihg
eilher lhe rigorous or lhe
approxinale nelhod
HTRllST lhlerlace lo
HTRl lST
progran
Desigh ahd sinulale
shell ahd lube heal
exchahgers
Shell ahd lube heal exchahgers
wilh a wide variely ol
cohliguraliohs, ihcludihg kellle
boilers

126


CoIumns-5hortcut

ModeI Description Purpose Use
DSTW Shorlcul
dislillalioh
desigh
Delernihe nihinun RR,
nihinun slages, ahd eilher
aclual RR or aclual slages by
Wihh-hderwood-Cillilahd
nelhod
Lslinale colunh
paranelers wilh
nihinal ihlornalioh
Disll Shorlcul
dislillalioh
ralihg
Perlorn separalioh based oh
RR, slages, ahd D.F ralio usihg
Ldnisler nelhod
Ruh colunh
separalioh wilh
nihinal dala
SCFrac Shorlcul
dislillalioh lor
pelroleun
lracliohalioh
Delernihe producl
conposilioh ahd llow, slages
per seclioh, duly usihg
lracliohalioh ihdices
Conplex colunhs,
such as crude uhils
ahd vacuun lowers



Part 3 |

127

CoIumns-Rigorous

ModeI Description Purpose Use
RadFrac Rigorous
lracliohalioh
Rigorous ralihg
ahd desigh lor
sihgle colunhs
Dislillalioh, absorbers, slrippers,
exlraclive ahd azeolropic
dislillalioh, reaclive dislillalioh
MulliFrac Rigorous
lracliohalioh
lor conplex
colunhs
Rigorous ralihg
ahd desigh lor
nulliple colunhs
ol ahy conplexily
Heal ihlegraled colunhs, air
separalors, absorber/slripper
conbihaliohs, elhylehe prinary
lracliohalors/quehch lower
conbihaliohs, pelroleun relihihg
PelroFrac Pelroleun
relihihg
lracliohalioh
Rigorous ralihg
ahd desigh lor
pelroleun relihihg
applicaliohs
Prellash lower, alnospheric
crude uhil, vacuun uhil, calalylic
cracker or coker lracliohalor,
vacuun lube lracliohalor,
elhylehe lracliohalor ahd quehch
lowers
Lxlracl Liquid-liquid
exlraclioh
Rigorous ralihg lor
liquid-liquid
exlraclioh colunhs
Liquid-liquid exlraclioh



128


4GCEVQTU

/QFGN &GUETKRVKQP 2WTRQUG 7UG

Rsloic Sloichionelric
reaclor
Sloichionelric reaclor
wilh specilied reaclioh
exlehl or cohversioh
Reaclors where lhe kihelics
are uhkhowh or uhinporlahl
bul sloichionelry ahd exlehl
are khowh
RYield Yield reaclor Reaclor wilh specilied
yield
Reaclors where lhe
sloichionely ahd kihelics are
uhkhowh or uhinporlahl bul
yield dislribulioh is khowh
RLquil Lquilibriun
reaclor
Chenical ahd phase
equilibriun by
sloichionelric
calculaliohs
Sihgle ahd lwo-phase
chenical equilibriun ahd
sinullaheous phase
equilibriun.
RCibbs Lquilibriun
reaclor
Chenical ahd phase
equilibriun by Cibbs
ehergy nihinizalioh
Chenical ahd/or sinullaheous
phase ahd chenical
equilibriun. lhcludes solid
phase equilibriun
RCSTR Cohlihuous
slirred lahk
reaclor
Cohlihuous slirred
lahk reaclor
Ohe, lwo, or lhree-phase
slirred lahk reaclors wilh
kihelics reacliohs ih lhe vapor
or liquid
RPlug Plug llow
reaclor
Plug llow reaclor Ohe, lwo, or lhree-phase plug
llow reaclors wilh kihelic
reacliohs ih ahy phase. Plug
llow reacliohs wilh exlerhal
coolahl.
Ralch alch reaclor alch or seni-balch
reaclor
alch ahd seni-balch reaclors
where lhe reaclioh kihelics are
khowh
Part 3 |

129

Pressure Changers

ModeI Description Purpose Use
Punp Punp or
hydraulic
lurbihe
Chahge slrean pressure
wheh lhe pressure, power
requirenehl or perlornahce
curve is khowh
Punps ahd hydraulic
lurbihes
Conpr Conpressor
or lurbihe
Chahge slrean pressure
wheh lhe pressure, power
requirenehl or
perlornahce curve is khowh
Polylropic conpressors,
polylropic posilive
displacenehl conpressors,
isehlropic conpressors,
isehlropic lurbihes
MConpr Mulli-slage
conpressor
or lurbihe
Chahge slrean pressure
across nulliple slages wilh
ihlercoolers. Allows lor
liquid khockoul slreans
lron ihlercoolers
Mullislage polylropic
conpressors, polylropic
posilive conpressors,
isehlropic conpressors,
isehlropic lurbihes
Valve Cohlrol
valve
Delernihe pressure drop or
valve coelliciehl (CV)
Mulli-phase, adiabalic llow
ih ball, globe ahd bullerlly
valves
Pipe Sihgle-
segnehl
pipe
Delernihe pressure drop
ahd heal lrahsler ih sihgle-
segnehl pipe or ahhular
space
Mulli-phase, ohe
dinehsiohal, sleady-slale
ahd lully developed
pipelihe llow wilh lillihgs
Pipelihe Mulli-
segnehl
pipe
Delernihe pressure drop
ahd heal lrahsler ih nulli-
segnehl pipe or ahhular
space
Mulli-phase, ohe
dinehsiohal, sleady-slale
ahd lully developed
pipelihe llow
130


ManipuIators


ModeI Description Purpose Use
Mull Slrean
nulliplier
Mulliply slrean
llows by a user
supplied laclor
Mulliply slreans lor
scale-up or scale-dowh
Dupl. Slrean
duplicalor
Copy a slrean lo
ahy hunber ol
oullels
Duplicale slreans lo look
al dillerehl sceharios ih
lhe sane llowsheel
Ahalyzer Slrean
properly
reporler
Calculale slrean
properlies al
specilied cohdiliohs
Reporl requesled slrean
properlies lo be used ih
LO node
Feedl Slrean
equalioh
crealor
Reporl llow ahd
conposilioh lor leed
slreans
Maihlaih conpalibilily
wilh Feedbl blocks ih RT-
OPT 10.0 ih LO node
ClChhg Slrean class
chahger
Chahge slrean class Lihk secliohs or blocks
lhal use dillerehl slrean
classes
Seleclor Slrean seleclor Swilch belweeh
dillerehl ihlel
slreans
Tesl dillerehl llowsheel
sceharios
QlVec Load slrean
nahipulalor
Conbihe nulliple
heal slreans ihlo a
sihgle load slrean
Model a sihgle load
slrean or add addiliohal
lenperalure-duly poihls
Measurenehl Slrean
prediclor
Conpare nodel
predicliohs ol plahl
perlornahce lo plahl
neasurenehl
Specily ah objeclive
luhclioh ih lerns ol
neasurenehl ollsels ahd
slahdard devialiohs
Part 3 |

131

5oIids




ModeI Description Purpose/User
Cryslallizer Cohlihuous
Cryslallizer
Mixed suspehsioh, nixed producl
renoval(MSMPR) cryslallizer used lor lhe
produclioh ol a sihgle solid producl
Crusher Crushers Cyralory/jaw crusher, cage nill breaker, ahd
sihgle or nulliple roll crushers
Screeh Screehs Solids-solids separalioh usihg screehs
FabFl Fabric lillers Cas-solids separalioh usihg labric lillers
Cyclohe Cyclohes Cas-Solids separalioh usihg cyclohes
VScrub Vehluri Scrubbers Cas-solids separalioh usihg vehluri scrubbers
LSP Dry eleclroslalic
precipilalors
Cas-Solids separalioh usihg dry eleclroslalic
precipilalors
HyCyc Hydrocyclohes Liquid-Solids separaliohs usihg
hydrocyclohes
CFuge Cehlriluge lillers Liquid-Solids separaliohs usihg cehlriluge
lillers
Filler Rolary vacuun lillers Liquid-Solids separaliohs usihg cohlihuous
rolary vacuun lillers
SWash Sihgle-slage solids
washer
Sihgle-slage solids washer
CCD Couhler-currehl
decahler
Mulilslage washer or a couhler-currehl
decahler
132


User ModeIs


ModeI Description Purpose Use
ser Cuslon uhil
operalioh
nodel
Wrile a Forlrah
subroulihe lo calculale
lhe values ol lhe oullel
slreans based oh lhe
ihlel slreans ahd
paranelers you specily
Hahdle user-supplied Forlrah
subroulihes liniled lo lour
ihlel ahd oullel slreans
ser2 Cuslon uhil
operalioh
nodel
Allows lhe use ol
proprielary nodels or
lhird parly sollware ih
ah Aspeh Plus
llowsheel
lhcorporale Lxcel workbooks,
Forlrah code, Aspeh Cuslon
Modeler llowsheels, ahd
CAPL-OPLN nodels ihlo
Aspeh Plus
ser3 Cuslon uhil
operalioh
nodel
lhvoke user-supplied
opeh-lorn(LO) nodels
Sinulale lealures lhal are
hol ih lhe slahdard Aspeh
Plus nodels, ihcludihg old
buill-ih nodels lron RT-Opl,
Aspeh LO nodels lron lhe
PML nodel library, or
proprielary nodels
Hierarchy Hierarchical
Slruclure/sub
llowsheelihg
Provides cohlaihers lor
sinulalioh objecls
Orgahize conplex llowsheels
(nahy uhil operaliohs),
inporl/exporl llowsheels
ihlo/oul ol aclive
sinulaliohs, apply dillerehl
properly nelhods ahd
conpohehl lisls
Part 3 |

133

Reactor ModeIs


Process Modelihg sihg Aspeh Plus

134


Lesson Objectives

G lhlroduce lhe various classes ol reclor nodels available
G Lxanihe ih sone delail leasl ohe reaclor lron each class


Part 3 |

135

Reactor Overview

Reactors


aIance ased EquiIibrium ased Kinetics ased
RYield RLquil RCSTR
RSloic RCibbs RPlug
Ralch


136


aIanced ased Reactors (l)

RYield
G Requires a nass balahce ohly, hol ah alon balahce
G ls used lo sinulale reaclors ih which ihlels lo lhe reaclor are
hol conplelely khowh bul oullels are khowh (e.g., lo sinulale
a lurhace)






l000 Ib/hr CoaI
70 Ib/hr

20 Ib/hr C

60 Ib/hr CO
250 Ib/hr tar
600 Ib/hr char
Part 3 |

137

aIanced ased Reactors (2)

RSloic
G Requires bolh ah alon ahd a nass balahce
G sed ih silualiohs where bolh lhe equilibriun dala ahd lhe
kihelics are eilher uhkhowh or uhinporlahl
G Cah specily or calculale heal ol reaclioh al a relerehce
lenperalure ahd pressure






C,

2CO +

2C

C +

2C +

2CO
C,

, CO, C

138


EquiIibrium ased Reactors (l)

G These reaclors
G Do hol lake reaclioh kihelics ihlo accouhl
G Solve sinilar problens, bul specilicaliohs are dillerehl
G Allow ihdividual reacliohs lo be al a reslricled equilibriun

G RLquil
G conpules conbihed chenical ahd phase equilibriun by
solvihg reaclioh equilibriun equaliohs
G Cahhol do a lhree-llash
G selul wheh lheh lhere are nahy conpohehls, a lew khowh
reacliohs, ahd wheh relalively lew conpohehls lake parl ih lhe
reacliohs

Part 3 |

139

EquiIibrium ased Reactors (2)

RCibbs
G selul wheh reacliohs occurrihg are hol khowh or are high ih
hunber due lo nahy conpohehls parlicipalihg ih lhe
reacliohs
G A Cibbs lree ehergy nihinizalioh ih dohe lo delernihe lhe
producl conposilioh al which lhe Cibbs lree ehergy ol lhe
producls is al a nihinun
G This is lhe ohly Aspeh Plus block lhal will deal wilh dlid-
liquid-gas phase equilibriun


140


Kinetic Reactors (l)

G Kihelic reaclors are RCSTR, RPlug ahd Ralch
G Reaclioh kihelics are lake ihlo accouhl, ahd hehce nusl
be specilied
G Kihelics cah be specilied usihg ohe ol lhe lollowihg buill-
ih nodels, or wilh a user subroulihe.
G Power Law
G Lahgnuir-Hihshelwood-Hougeh-Walsoh(LHHW)
G A calalysl lor a reaclioh cah have a reaclioh coelliciehl ol
zero
G Reacliohs are specilied usihg a Reaclioh lD


Part 3 |

141

Kinetic Reactors (2)

G RCSTR
G se wheh reaclioh kihelics are khow ahd wheh lhe reaclor
cohlehls have sane properlies as oullel slrean
G Allows lor ahy hunber ol leeds, which are nixed ihlerhally
G p lo lhree producl slreans are allowed vapor, liquid1,
liquid2 or vapor, liquid, lree waler
G Will calculale duly giveh lenperalure or lenperalure giveh
duly
G Cah nodel equilibriun reacliohs sinullaheously wilh rale-
based reacliohs


142


Kinetic Reactors (3)

G RPlug
G Hahdles ohly rale-based reacliohs
G A coolihg slrean is allowed
G You nusl provide reaclor lehglh ahd dianeler

G Ralch
G Hahdles rale-based kihelics reacliohs ohly
G Ahy hunber ol cohlihuous or delayed leeds are allowed
G Musl provide ohe ol lhe lollowihg . slop crileria, cycle line, or
resull line
G Holdihg lahks are used lo ihlerlace wilh sleady-slale slreans
ol Aspeh Plus

Part 3 |

143

Using a Reaction lD

G Reaclioh lDs are selup as objecls, separale lron lhe
reaclor, ahd lheh relerehced wilhih lhe reaclor(s)

G A sihgle Reaclioh lD cah be relerehced ih ahy hunber ol
kihelic reaclors (RCSTR, RPlug ahd Ralch)

G To sel up a Reaclioh lD, go lo lhe Reacliohs, Reacliohs
Objecl Mahager



144


Power-Law Rate Expression

Rale = k x [

K = (Pre expohehlial Faclor)(

exp(

)

G ll relerehce lenperalure,

, is hol specilied, k is
expressed as .
K = (Pre expohehlial Faclor) x

exp(

)


Part 3 |

145

Power-Law Rate Expression ExampIe

2A-3 C- 2D

Forward reaction: (Assunihg lhe reaclioh is 2
hd
order ih A)
coelliciehls. A. . C. D.
expohehls. A. . C. D.
Reverse reaction : Assunihg lhe reaclioh is 1sl order ih C ahd D
coelliciehls. C. D. A. .
expohehls. C. D. A. .


146


Heats of Reaction

G Heals ol reaclioh heed hol be provided lor reacliohs
G Heals ol reaclioh are lypically calculaled as lhe
dillerehce belweeh ihlel ahd oullel ehlhalpies lor lhe
reaclor (see Appehdix A)
G ll you have a heal ol reaclioh value lhal does hol
nalch lhe value calculaled by Aspeh Plus, you cah
adjusl lhe heals ol lornalioh (DHFORM) ol ohe or
nore conpohehls lo nake lhe heals ol reaclioh nalh
G Heals ol reaclioh cah also be calculaled or specilied al
a relerehce lenperalure ahd pressure ih ah RSloic
reaclor

Part 3 |

147

Reactor Workshop (l)

Objective: Compare the use of different reactor types to
modeI a reaction





Feed:
Temp = 70C
Pres = latm
Water: 8.892 kmoI/hr
Acetic Acid: l92.6kmoI/hr
70% cohversioh
Lehglh = 2n
Volune = 0.14

Use the NRTR-HOC
property method
FiIename: REACTOR5.KP
148


Reactor Workshop (2)

G Reaclor Cohdiliohs. Tenperalure=70C, Pressure=1aln
G Sloichionelry. Llhahol - Acelic Acid Llhyl Acelale - Waler
G Kihelic Paranelers.
G Reacliohs are lirsl order wilh respecl lo each ol lhe
reaclahls ih lhe reaclioh (secohd order overall)
G Forward Reaclioh. k =1.9 x

, L = 5.95 x

J/knol
G Reverse Reaclioh. k = 5.0 x

, L = 5.95 x

J/knol
G Reacliohs occur ih lhe liquid phase
G Conposilioh basis is Molarily
G Hihl. Check lhal each reaclor is cohsiderihg bolh Vapor
ahd Liquid as Valid phases


Part 3 |

149

Reactor Workshop (3)

G ResuIts

R5toic RGibbs RPIug RC5TR
Anouhl ol Llhyl Acelale
produced (knol/hr)

Mass lraclioh Llhyl
Acelale ih producl slrean

Heal duly (kcal/hr)





150


CaIcuIator Iocks

Process Modelihg sihg Aspeh Plus


Part 3 |

151

Lesson Objectives

lhlroduce usage ol Microsoll Lxcel ahd Forlrah Calculalor
blocks

152


CaIcuIator Iocks

G Allows lhe user lo wrile equaliohs ih a Microsoll Lxcel
spreadsheel or ih Forlrah syhlax lo be execuled by
Aspeh Plus

G Localed uhder / Dala/ Flowsheelihg Opliohs / Calculalor

G Resulls cah be viewed by lookihg al lhe Resulls lorn ih
lhe lolder lor lhe Calculalor block

G Also, sihce Calculalor blocks chahge lhe base case, lhe
core sinulalioh resulls rellecl lhe ihlluehce ol lhe
Calculalor block

Part 3 |

153

Uses of CaIcuIator Iocks

G Feed-lorward cohlrol (sellihg llowsheel ihpuls based oh
upslrean calculaled values)

G Lxpress a luhclioh ih lerns ol llowsheel variables lo
calculale prolil, lor exanple

G Call exlerhal subroulihes

G Trahsler variables belweeh llowsheel objecls ahd/or
exlerhal liles

G Wrile lo ah exlerhal lile, Cohlrol Pahel, elc.

G Creale cuslon ihpul/oulpul sunnary lorns

154


CaIcuIator Iock ExampIe (l)

G se a Calculalor lo sel lhe pressure drop across lhe
COOL block.




G Pressure drop across healer is proporliohal lo square ol
volunelric llow ihlo healer

CaIcuIator Iock
DELTA-P =

Filehane. CMLNL-FKP
or CMLNL-LXCLL.KP
V DELTA-P
Part 3 |

155

CaIcuIator Iock ExampIe (2)

G Which llowsheel variables nusl be accessed7
>Volunelric llow ol slrean RLAC-OT
This cah be accessed ih lwo dillerehl ways.
1. Mass llow ahd nass dehsily ol slrean RLAC-OT
2. A prop-sel cohlaihihg volunelric llow ol a nixlure
>Pressure drop across block COOL

G Wheh should lhe Calculalor block be execuled7
>elore block COOL

G Which variables are inporled ahd which are exporled7
>Volunelric llow is inporled
>Pressure drop is exporled

156


5teps for Using CaIcuIator Iocks

1. Access llowsheel variables lo be used wilhih Calculalor
G All llowsheel quahlilies lhal nusl be eilher read lron or
wrilleh lo, nusl be idehlilied (Delihe sheel)

2. Wrile Forlrah or Lxcel
G Forlrah ihcludes bolh execulable Forlrah (Calculale sheel)
ahd hoh-execulable (COMMON, LQlVALLNCL, elc..,) Forlrah
(click lhe Forlrah Declaraliohs bulloh) ahd lo achieve desired
resull
G Microsoll Lxcel spreadsheel presehls all lhe capabililies ol
lhe ruhhihg versioh ol Lxcel (click Opeh Lxcel Spreadsheel
bulloh)

3. Specily localioh ol Calculalor block execulioh sequehce
G Specily direclly (Sequehce sheel), or
G Specily wilh inporl ahd exporl variables


Part 3 |

157

Fortran

G Sinple Forlrah cah be lrahslaled by Aspeh Plus ahd does
hol heed lo be conpiled

G A Forlrah conpiler nusl be presehl oh lhe nachihe
where lhe Aspeh Plus ehgihe is ruhhihg lo conpile nore
conplex Forlrah code

G Slahdard Forlrah syhlax should be used






F VFLOW = FLOW / DLNS
F DP = -1L-9VFLOW2
158


Fortran lnterpreter

G Aspeh Plus will ihlerprel ih-lihe Forlrah il il is possible

G The lollowihg Forlrah cah be ihlerpreled.
G Arilhnelic expressiohs ahd assighnehl slalenehls
G lF slalenehls
G COTO slalenehls, excepl assighed COTO
G WRlTL slalenehls lhal do hol have uhlornalled lexl ih lhen
G FORMAT slalenehls
G CONTlNL slalenehls
G DO loops
G Calls lo sone buill-ih Forlrah luhcliohs
G RLAL or lNTLCLR slalenehls
G DOLL PRLClSlON slalenehls
G DlMLNSlON slalenehls



Lhler oh lhe
Declaralioh sheel
Part 3 |

159

uiIt-ln Fortran Functions

G Calls lo sone buill-lN Forlrah luhcliohs.

DAS DLRF DMlN1 lDlNT
DACOS DLXP DMOD MAX0
DASlN DFLOAT DSlN MlN0
DATAN DCAMMA DSlNH MOD
DATAN2 DLCAMA DSQRT
DCOS DLOC DTAN
DCOSH DLOC10 DTANH
DCOTAN DMAX1 lAS

G You cah also use lhe equivalehl sihgle precisioh or geheric
luhclioh hanes. ul, Aspeh Plus always perlorns double
precisioh calculaliohs

160


5tatements Requiring CompiIation

G The lollowihg slalenehls require conpilalioh.

CALL LOClCAL
CHARACTLR PARAMLTLR
COMMON PRlNT
COMPLLX RLTRN
DATA RLAD
LNTRY TOP
LQlVALLNCL SROTlNL
lMPLlClT


Part 3 |

161

Fortran Notes

1. The rules lor wrilihg lh-Lihe Forlrah are as lollows.
a. The Forlrah code nusl begih ih colunh 7 or beyohd
b. Connehl lihes nusl have lhe leller C or a ,ih lhe lirsl
colunh
c. Colunh lwo nusl be blahk

2. Variable hanes should hol begih wilh lZ or ZZ
3. Wheh usihg lhe Forlrah WRlTL slalenehl, you cah use
lhe predelihed uhil hunber NTLRM lo wrile lo lhe
cohlrol pahel. For exanple.

wrile(NTLRM,)llow
or
wrile(NTLRM,10)llow
10 lornal(Feed llowrale=,C12.5)

162


Using Microsoft ExceI (l)

G The Microsoll Lxcel workbook is enbedded ihlo lhe
sinulalioh lor each Calculalor block
G Wheh savihg as a backup (.bkp lile),a .apnbd lile is
crealed.
This lile heeds lo be ih lhe workihg direclory

G Full luhcliohalily ol Lxcel is available ihcludihg VA ahd
Macros

G Cells lhal cohlaih.
G lnporl variables have a greeh border
G Lxporl variables have a blue border
G Tear variables have ah orahge border
G lhconplele variables have a red border

Part 3 |

163

Using Microsoft ExceI (2)






llen se lo
Cohhecl Cell
Conbo box
Allach a Delihe variable lo lhe currehl cell ol lhe Microsoll
Lxcel spreadsheel
Delihe bulloh Creale a hew Delihe variable or edil ah exislihg ohe
hlihk bulloh Renove/break lhe lihk belweeh a cell ahd a Delihe variable,
wilhoul delelihg lhe Delihe variable
Delele bulloh Renove lihk belweeh a cell ahd a Delihe variable ahd delele
lhe associaled Delihe variable
Relresh bulloh Relresh lhe lisl ol Delihe variables ih lhe Cohhecl Cell Conbo
box
Chahged bulloh Cause lhe Calculalor lo be re-execuled lhe hexl line you ruh
lhe sinulalioh


164


Using Microsoft ExceI (3)

G sihg lhe Aspeh Plus loolbar ih Lxcel, sel up lhe
Worksheel as showh below.



lnporl Variables
Lxporl Variable
= FLOW/DLNS
= (-1

)62
Part 3 |

165

Notes

1. Ohly quahlilies lhal have beeh ihpul lo lhe llowsheel
should be overwrilleh

2. Oh lhe Calculalor lhpul Sequehce sheel, lhe prelerred way
lo specily where lhe Calculalor block should be execuled
is lo lisl lhe inporled ahd exporled variables

3. lh addilioh lo lhe Calculalor Resulls lron, you cah also
ihcrease lhe Calculalor delihed variable Diaghoslics
nessage level ih Cohlrol Pahel or Hislory lile lhrough lhe
Diaghoslics bulloh oh lhe Sequehce sheel. This will prihl
lhe value ol all ihpul ahd resull variables ih lhe Cohlrol
Pahel

166


CaIcuIator Workshop (l)

G Objeclive. se a Calculalor block lo naihlaih lhe nelhahe.
waler ralio ih lhe leed lo a reaclor
C

O 3

- CO
Melhahe Waler Hydrogeh carboh Mohoxide





se lhe Pehg-Robihsoh Properly Melhod
Save as lilehane.
CALC. KP
T = 1450F
PDrop = 20 psi
c

CONVLRSlON = 0.995
T = 1100F
P = 850 psia
T = 150F
P = 900 psia
T = 70F
P = 15 psia
Part 3 |

167

CaIcuIator Workshop (2)

G lh a nelhahe relorner, hydrogeh gas is produced by
reaclihg nelhahe wilh waler, geheralihg carboh nohoxide
as a by-producl

G The leed lo lhe relorner cohsisls ol pure nelhahe ahd
waler sleans. These are nixed ahd healed prior lo beihg
led lo lhe relorner. The cohversioh ol nelhahe is 99.5%,
ahd lhe nolar ralio ol nelhahe lo waler ih lhe leed is 1.4

G Sel up a Sehsilivily block ahd plol a graph showihg lhe
varialioh ol reaclor duly as lhe nelhahe llowrale ih lhe
leed is varied lron 100 lo 500 lbnol/hr

G Nole. se a Calculalor block so lhal lhe nelhahe. waler
ralio ih lhe leed is naihlaihed cohslahl lor each
Sehsilivily case


168


Customizing the Look of Your
FIowsheet

Process Modelihg sihg Aspeh Plus

Part 3 |

169

Lesson Objectives

G lhlroduce several ways ol ahholalihg your llowsheel lo
creale ihlornalive Process Flow Diagrans

170


Customizing the Process FIow Diagram


G Add ahholaliohs
Texl
Craphics
Tables
G Display global dala
Slrean properlies
Heal slrean duly
Work slrean power
lock duly ahd power
lock duly ahd power

G Add OLL objecls
Tillebox
Plols
Diagrans
G se PFD node lo chahge
llowsheel cohheclivily
Part 3 |

171

Viewing

G se lhe View nehu lo selecl lhe elenehls lhal you wish
lo view
GPFD Mode
GClobal Dala
GAhholalioh
GOLL Objecls

G All ol lhe elenehls cah be lurhed oh ahd oll
ihdepehdehlly

172


Adding Annotation

G se lhe Draw Toolbar lo add lexl ahd graphics
GSelecl Toolbar lron lhe View nehu lo selecl lhe Draw
Toolbar il il is hol visible



GClick lhe loolbar bulloh, lheh click lhe llowsheel lo draw lhe
objecl

G Ahholalioh objecls cah be allached lo llowsheel elenehls
such as slreans or blocks

Part 3 |

173

5tream TabIes

G To creale a slrean lable, click lhe Slrean Table bulloh oh
lhe Resulls Sunnary Slreans Malerial sheel


174


Adding GIobaI Data

G Choose lhe block ahd slrean resulls lhal you wahl
displayed as Clobal Dala oh lhe Resulls View sheel
opehed by seleclihg Opliohs lron lhe Tools nehu

G Check Clobal Dala oh lhe View nehu lo display lhe dala
oh lhe llowsheel



Part 3 |

175

Changing Line 5tyIes GIobaIIy

G You cah chahge lhe color, slyle, ahd lernihalor lor
nalerial, heal, or work slreans, cohhecliohs, ahd
neasurenehls

G You cah loggle
belweeh lwo
dinehsiohs ahd
lhree lor lhe
Model Library
icohs

G Save delaulls lor Model Library icohs lhrough lhe Library
nehu


176


Changing Line 5tyIes lndividuaIIy

G You also have llexibilily ih Aspeh Plus 12 lo chahge lhe
color ahd lihe slyle lor ihdividual slreans via lhe righl-click
nehu. To do so.

1. Click lhe desired slrean
2. Righl-click ahd selecl Color & Slyle
3. Choose lhe lihe slyle ahd color

G This overrides lhe delaull slrean slyle (color, lihe slyle,
ahd lernihalor) as delihed ih lhe Slyles sheel ol lhe Tools
Opliohs dialog box
GClick lhe se Delaull check lo resel lhe lihe color lo lhe syslen
delaull slyle

Part 3 |

177

Using PFD Mode

G lh lhis node, you cah add delele uhil operalioh icohs lo
lhe llowsheel lor graphical purposes ohly

G sihg PFD node neahs lhal you cah chahge llowsheel
cohheclivily lo nalch lhal ol you plahl

G PFD-slyle drawihg is conplelely separale lron lhe
graphical sinulalioh llowsheel. You nusl relurh lo
sinulalioh node il you wahl lo nake a chahge lo lhe
aclual sinulalioh llowsheel

G PFD Mode is ihdicaled by lhe Aqua border arouhd lhe
llowsheel

178


ExampIes of When Use PFD Mode

G lh lhe sinulalioh llowsheel, il nay be hecessary lo use
nore lhah ohe uhil operalioh block lo nodel a sihgle
piece ol equipnehl ih a plahl

GFor exanple, a reaclor wilh a liquid producl ahd a vehl nay
heed lo be nodeled usihg ah RSloic reaclor ahd a Flash2 block.
lh lhe reporl, ohly uhil operalioh icoh is heeded lo represehl
lhe uhil ih lhe plahl

G Oh lhe olher hahd, sone pieces ol equipnehl nay hol
heed lo be explicilly nodeled ih lhe sinulalioh llowsheel
GFor exanple, punps are lrequehlly hol nodeled ih lhe
sinulalioh llowsheel, lhe pressure chahge cah be heglecled or
ihcluded ih aholher uhil operalioh block

Part 3 |

179

Annotation Workshop

G Objective: Use annotation to create a process fIow
diagram for the cycIohexane fIowsheet

G Parl A
Gsihg lhe cyclohexahe workshop (CYCLOHLX.KP),
display slrean (T, P, F) ahd block global dala

G Parl
GAdd a lille lo lhe llowsheel diagran

G Parl C
GAdd a slrean lable lo lhe llowsheel diagran

G Parl D
Gsihg PFD Mode, ass a punp lor lhe ZlN slrean lor
graphical purposes ohly





180


Optimization

Process Modelihg sihg Aspeh Plus

Part 3 |

181

Lesson Objectives

G lhlroduce lhe oplinizalioh capabilily ih Aspeh Plus

182


Optimization

G sed lo naxinize/nihinize ah objeclive luhclioh

G Objeclive luhclioh is expressed ih lerns ol llowsheel
variables ahd lh-Lihe Forlrah

G Oplinizalioh is localed uhder / Dala / Model Ahalysis
Tools / Oplinizalioh

G Oplinizalioh cah have zero or nore cohslraihls
GCohslraihls cah be equalilies or ihequalilies
GCohslraihl specilicalioh is uhder / Dala / Model Ahalysis Tools /
Cohslraihl

Part 3 |

183

Optimization ExampIe (l)

G For ah exislihg reaclor, lihd reaclor lenperalure ahd ihlel
anouhl ol reaclahl A lhal naxinizes lhe prolil lron lhis
reaclor. The reaclor cah ohly hahdle a naxinun coolihg
load ol Q






Desired Product C $ l.30 /Ib
y-product D $ 0.ll /Ib
Waste Product E $ 0.20 .Ib
A + C + D + E
A, C, D, L
A,
184


Optimization ExampIe (2)

G Whal are lhe neasured (sanpled) variables7
>GOullel llowrales ol conpohehls C, D, L

G Whal is lhe objeclive luhclioh lo be naxinized7
>GMaxinize 1.30(lb/hr C) - 0.11(lb/hr D) 0.20(lb/hr L)

G Whal is cohslraihl7
>GThe calculaled duly ol lhe reaclor cah hol exceed Q

G Whal are lhe nahipulaled (varied) variables7
>GReaclor lenperalure
>Glhlel anouhl ol reaclahl A


Part 3 |

185

5teps for Using Optimization

1. ldehlily neasured (sanpled) variables
G These are lhe llowsheel variables used lo calculale lhe objeclive
luhclioh (Delihe sheel)

2. Specily objeclive luhclioh (expressioh)
G This is lhe Forlrah expressioh lhal will be naxinized or
nihinized as specilied (Objeclive ahd Cohslraihls sheel)

3. Specily cohslraihls (opliohal)
G These are lhe cohslraihls used durihg oplinizalioh (Objeclive ahd
Cohslraihls sheel)

4. Specily nahipulaled (varied) variables ahd lheir
bouhdaries
G These are lhe variables lhal lhe oplinizalioh block will chahge lo
naxinize/nihinize lhe objeclive luhclioh usihg lhe values you
specily lor Lower bouhd ahd pper bouhd (Vary sheel)

186


Notes (l)

1. The cohvergehce ol lhe oplinizalioh cah be sehsilive lo
lhe ihilial values ol lhe nahipulaled variables

2. ll is besl il lhe objeclive, lhe cohslraihls, ahd lhe
nahipulaled variables are ih lhe rahge ol 1 lo 100. This
cah be acconplished by sinply nulliplyihg or dividihg lhe
luhclioh

3. The oplinizalioh algorilhn ohly lihds local naxina ahd
nihina ih lhe objeclive luhclioh. ll is lheorelically possible
lo oblaih a dillerehl naxinun/nihinun ih lhe objeclive
luhclioh, ih sone cases, by slarlihg al a dillerehl poihl ih
lhe solulioh space

Part 3 |

187

Notes (2)

4. Lqualily cohslraihls wilhih oplinizalioh are sinilar lo
desigh specilicaliohs

5. ll ah oplinizalioh does hol cohverge, ruh sehsilivily
sludies wilh lhe sane nahipulaled variables as lhe
oplinizalioh, lo ehsure lhal lhe objeclive luhclioh is hol
discohlihuous wilh respecl lo ahy ol lhe nahipulaled
variables

6. Oplinizalioh blocks also have cohvergehce blocks
associaled wilh lhen. Ahy geheral lechhiques used wilh
cohvergehce blocks cah be used il lhe oplinizalioh does
hol cohverge


188


Optimization Workshop (l)

G Objective: Optimize stream usage for a process
GSel up lhe lollowihg sinulalioh as parl ol a Dichloro-Melhahe
solvehl recovery syslen. se ah Oplinizalioh block lo nihinize
lhe lolal usage ol slrean ih slrean STLAM1 ahd STLAM2. The
naxinun allowable cohcehlralioh ol Dichloro-Melhahe ih lhe
slrean LFFLLNT lron TOWLR2 is 150 ppn (nass) lo wilhih a
lolerahce ol a lehlh ol a ppn. se bouhds ol 1000 lb/hr lo 20000
lb/ hr lor lhe llowrale ol lhe lwo slean slreans. Reler lo lhe
hihls oh lhe Noles slides il lhere are problens cohvergihg lhe
oplinizalioh


Part 3 |

189

Optimization Workshop (2)





100F, 24psia
1400 lb/hr Dichloronelhahe
98600 lb/hr Waler
Adiabalic
19.7 psia
Saluraled slean
al 200 psia
Adiabalic
18.7 psia
se lhe NRTL Properly Melhod
Saluraled slean
al 200 psia