OLI SYSTEMS, INC.

A Guide to Using The Aspen

OLI Interface
Featuring Aspen PLUS V7.2

JamesBerthold
5/12/2011




HowtousetheOLIEngineinAspenPLUS.
0-2 An Overview of the Aspen OLI Interface A Guide to Using The Aspen OLI Interface
Copyright

2011
OLI Systems, Inc.
All rights reserved.

The enclosed materials are provided to the lessees, selected individuals and agents of OLI Systems,
Inc. The material may not be duplicated or otherwise provided to any entity without the expressed
permission of OLI Systems, Inc.



108 American Road
Morris Plains, New J ersey 07950
973-539-4996
(Fax) 973-539-5922
Oli.support@olisystems.com
www.olisystems.com


This manual was authored by OLI Systems, Inc. The underlying software is the product of over 40
years of effort by the staff of OLI and over $30 MM dollars of financial support from our clients.


Disclaimer:

This manual was produced using the OLI Engine 8.2 in Aspen PLUS V7.2 .As time
progresses, new data and refinements to existing data sets can result in values that you
obtain being slightly different than what is presented in this manual. This is a natural
progress and cannot be avoided. When large systematic changes to the software
occur, this manual will be updated.

Aspen PLUS is a registered trademark of Aspen Technologies, Inc. Cambridge, MA.


A Guide to Using The Aspen OLI Interface An Overview of the Aspen OLI Interface 0-3
Contents
Chapter 1 An Overview of the Aspen OLI Interface 5
History ....................................................................................................................................... 5
Advantages of Aspen OLI ......................................................................................................... 5
Disadvantages of Aspen OLI ..................................................................................................... 5
Aspen OLI Interface Layout ...................................................................................................... 6
Aspen OLI Unit Operations ....................................................................................................... 7
Aspen Property Set .................................................................................................................... 8
Using the Aspen OLI Interface ................................................................................................ 11
Potential Problems ................................................................................................................... 12
Added Unit Blocks (OLI) ........................................................................................................ 12
Chapter 2 ASPEN Neutralization Flowsheet 14
A Tour of the OLI-ASPEN Interface ....................................................................................... 14
Generating Chemistry Model .................................................................................... 15
File NEUTRAL.ASP ................................................................................................. 21
Creating the Aspen Flowsheet ................................................................................................. 29
Chapter 3 ASPEN Emergency Chlorine Scrubber Flowsheet 35
A Tour of the OLI-ASPEN Interface (RADFRAC example) .................................................. 35
Generating Chemistry Model .................................................................................... 35
Creating the Aspen Flowsheet ................................................................................................. 36
Create the following flowsheet using the Model Manager ........................................ 36
Chapter 4 ASPEN Amine Gas Cleanup Flowsheet 43
A Tour of the OLI-ASPEN Interface ....................................................................................... 43
Generating Chemistry Model .................................................................................... 44
Creating the Aspen Flowsheet ................................................................................................. 45
Create the following flowsheet using the Model Manager ........................................ 45
Chapter 5 EFLASH and EFRACH (FraChem) 73
Overview ................................................................................................................................. 73
EFLASH (Electrolyte Flash) .................................................................................................. 73
Example ..................................................................................................................... 74
Input Language .......................................................................................................... 79
BLOCK blockid EFLASH ........................................................................................ 80
EFRACH (Electrolyte Distillation, Frachem) ......................................................................... 83
Example: Chlorine Scrubber ..................................................................................... 84
Design Spec ........................................................................................................... 87
EFRACH Results ...................................................................................................... 90


0-4 An Overview of the Aspen OLI Interface A Guide to Using The Aspen OLI Interface

A Guide to Using The Aspen OLI Interface An Overview of the Aspen OLI Interface 1-5
Chapter 1 An Overview of the
Aspen OLI Interface
History
Dupont 25 year history using OLI electrolytes program.
1995 switched to Aspen as their process simulator.
Wanted the capability to use OLI electrolytes from ASPEN.
In 1996 Aspen V-8.2 was interfaced (no Model Manager)
In 1997 Aspen V-9.x with Model Manager.
Currently interfacing with Aspen PLUS V7 (2008)

Advantages of Aspen OLI
User Interface
Learn one flowsheeting system
Multiple Property Options in same flowsheet
Well established Non-electrolyte capability
Sizing
Costing
Two Software Venders



Disadvantages of Aspen OLI
No Corrosion
No Bio-reactors
1-6 An Overview of the Aspen OLI Interface A Guide to Using The Aspen OLI Interface
No Ion-exchange
No Surface Complexation
No Scaling Tendencies
Two Software Venders

Aspen OLI Interface Layout


Figure 1-1 The layout of the Aspen OLI Interface
A Guide to Using The Aspen OLI Interface An Overview of the Aspen OLI Interface 1-7
Aspen OLI Unit Operations

MIXERS
FSPLIT
SEP
SEP2
HEATER
FLASH2
FLASH3
HEATX
MHEATX
RADFRAC
RSTOIC
RYIELD
RCSTR
RPLUG
PUMP
COMPR

1-8 An Overview of the Aspen OLI Interface A Guide to Using The Aspen OLI Interface
Aspen Property Set

Figure 1-2 OLI Property Set, the circled areas show that OLI is enabled

A Guide to Using The Aspen OLI Interface An Overview of the Aspen OLI Interface 1-9
Pr oper t y Rout e I D Pr oper t y Rout e I D

PHI VMX PHI VMXO1 MUVMXL MUVMXLP1
PHI LMX PHI LMXO1 MUVLP MUVLP01
HVMX HVMXO1 KVMXLP KVMXLP01
HLMX HLMXO1 KVLP KVLP01
GVMX GVMXO1 DHV DHV00
GLMX GLMXO1 DHL DHL00
SVMX SVMXO1 DHLPC DHLPC00
SLMX SLMXO1 DGV DGV00
VVMX VVMXO1 DGL DGL00
VLMX VLMXO1 PHI LPC PHI LPC00
MUVMX MUVMX01 DSV DSV00
MULMX MULMX01 KVPC KVPC01
KVMX KVMX01
KLMX KLMX01
DVMX DVMX01
DLMX DLMX02
SI GLMX SI GLMX01
PHI V PHI V00
PHI L PHI LO1
HV HV00
HL HL00
GV GV00
GL GL00
SV SV00
SL SL00
VV VV00
VL VL01
MUV MUV01
MUL MUL01
KV KV01
KL KL01
DV DV01
DL DL01
SI GL SI GL01
HSMX HSMXO1
PHI L PHI L00

1-10 An Overview of the Aspen OLI Interface A Guide to Using The Aspen OLI Interface
Pr oper t y Model Set OpCodes Af f ect ed
Pr oper t i es

PHI VMX PHVMXOLI 1 PHI VMX
PHI LMX PHLMXOLI 1 PHI LMX
HVMX HVMXOLI 1 HVMX
HLMX HLMXOLI 1 HLMX
GVMX GVMXOLI 1 GVMX
GLMX GLMXOLI 1 GLMX
SVMX SVMXOLI 1 SVMX
SLMX SLMXOLI 1 SLMX
VVMX VVMXOLI 1 VVMX
VLMX VLMXOLI 1 VLMX
MUVMXL MUV2WI LK 1 MUVMX
MUVLP MUV0CEB 1 MUVMX KVMX MUV KV
MULMX MUL2ANDR 1 MULMX
KVMXLP KV2WMSM 1 KVMX
KVLP KV0STLP 1 KVMX KV
KLMX KL2SRVR 1 KLMX
DVMX DV1CEWL 1 DVMX
DLMX DL1WCA 1 DLMX
SI GLMX SI G2HSS 1 1 SI GLMX
PHI V ESI G0 1 PHI V GL SL
PHI L PHI LOLI 1 PHI L
DHV ESI G0 1 HV HL SL
PL PL0XANT 1 HL GL SL
DHVL DHVLWTSN 1 HL SL
DHLPC DHLPC00 1 HL SL
DGV ESI G0 1 GV
PHI LPC PHI LPC00 1 GL SL
DSV ESI G0 1 SV
VV ESI G0 1 VV
VL VL0RKT 1 VL
MUL MUL0ANDR 1 MUL
KVPC KV0STPC 1 KV
VV ESRK0 1 KV
KL KL0SR 1 KL
DV DV0CEWL 1 DV
DL DL0WCA 1 DL
SI GL SI G0HSS 1 SI GL
HSMX HSMXOLI 1 HSMX
A Guide to Using The Aspen OLI Interface An Overview of the Aspen OLI Interface 1-11
Using the Aspen OLI Interface
New property option in ASPEN named OLI:
PROPERTIES OLI CHEMISTRY=xxxxx TRUE-COMPS=YES
The following ASPEN paragraphs are created when the chemistry
model is generated:
DATABANKS PROP-DATA
COMPONENTS PROPERTIES
CHEMISTRY PROP-SET pH
ASPEN user is then required to add the additional paragraphs to run
the simulation
such as:
FLOWSHEET
STREAMS
BLOCKS

ESP- NAME DB 8- CHAR ASP- ALI AS ASP- NAME
================ = ====== ========= ===========================
AR P AR AR ARGON
BCL3 V BCL3 BCL3 BORON- TRI CHLORI DE
BF3 V BF3 BF3 BORON- TRI FLUORI DE
BR2 V BR2 BR2 BROMI NE
CLNO V CLNO CLNO NI TROSYL- CHLORI DE
CL2 P CL2 CL2 CHLORI NE
PCL3 V PCL3 CL3P PHOSPHORUS- TRI CHLORI DE
SI CL4 V SI CL4 CL4SI SI LI CON- TETRACHLORI DE
D2 V D2 D2 DEUTERI UM
D2O V D2O D2O DEUTERI UM- OXI DE

F2 V F2 F2 FLUORI NE
NF3 V NF3 F3N NI TROGEN- TRI FLUORI DE
SI F4 V SI F4 F4SI SI LI CON- TETRAFLUORI DE
SF6 V SF6 F6S SULFUR- HEXAFLUORI DE
HBR V HBR HBR HYDROGEN- BROMI DE
HCL P HCL HCL HYDROGEN- CHLORI DE
HF P HF HF HYDROGEN- FLUORI DE
AGI ON P AG+ AG+ AG+
AGCL2I ON P AGCL2- AGCL2- 2 AGCL2- -
AGSO4I ON P AGSO4- AGSO4- AGSO4-
ALI ON P AL+3 AL+3 AL+++
ALFI ON P ALF+2 ALF+2 ALF++
ALF2I ON P ALF2+ ALF2+ ALF2+

1-12 An Overview of the Aspen OLI Interface A Guide to Using The Aspen OLI Interface

Potential Problems
Mixing property options in the same flowsheet The user can mix
property options in the same flowsheet, using OLI in one block and an
Aspen sysopt such as SYSOP3 in another block. However, the user
must be aware of the potential problem of enthalpy mis-matches in
switching property options. Even though the base enthalpy for both
Aspen and OLI is the heat of formation of the pure component at 25 C,
a mis-match will occur due to differences in heat capacity and excess
enthalpy calculations. If an isothermal calculation is made at the point
of property option change, the effect will be to have an artificial duty
on the block. An adiabatic calculation could cause major problems in
convergence and result in erroneous results.

Chemistry model location (xxxx.DBS file) By default ASPEN
looks for the .DBS file in the directory where the BKP file has been
created.

8 Character Component Names at chemistry model generation, an 8
character name will be created for each species and cross referenced to
both OLI component names and Aspen component names. This cross
referencing is made based on a table (OLIASP.XRF) supplied with
the installation. Do Not change the names after the chemistry model is
created. It is okay to add additional names to the components
paragraph providing these components will have zero flow rates for
any block using the OLI property option.
Chemistry ParagraphThe chemistry paragraph created and placed in
the Aspen input file is only used by the RADFRAC block. All other
blocks chemistry is define by the information in the xxx.DBS file

Added Unit Blocks (OLI)

Four phase flash block (EFLASH)
OLI Distillation program (EFRACH)
Can only be used through command line (No Model Manager)
New run command (RUNASP)
Reads xxxx.ASP file and converts keyword input to positional input
and outputs xxxx.INP.
A Guide to Using The Aspen OLI Interface An Overview of the Aspen OLI Interface 1-13
Executes the standard Aspen run command to run the simulation.

Figure 1-3 EFLASH unit operation

Figure 1-4 EFRACH Block








2-14 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface
Chapter 2 ASPEN Neutralization
Flowsheet

A Tour of the OLI-ASPEN Interface

The following example is flowsheet simulation of an acid-base
neutralization process. An acid stream and a base stream are mixed
together and then caustic is added to raise the pH to 9. Solid NACL is
added to precipitate out Na2SO4. The resulting stream is split,
removing 75% and recycling 25%.

A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-15
Generating Chemistry Model

There are two methods to create an OLI chemistry model to be used with Aspen PLUS. These are the Chemistry Wizard
and the OLI Engine
1
. We will concentrate on the OLI Chemistry Wizard.

Use the Start Button and locate the OLI Chemistry Wizard. Typical installation paths will put the program here:

Start | Programs | OLI Systems | OLI Engine in Aspen Plus V7.2 | Chemistry Wizard


The Chemistry Wizard information dialog is now displayed. You can enter the name of the model and change the
location where the model files will be located. Here we will enter the name Neutral1for the model name and change the
location of the files.


Figure 2-1 Specifying the model name and location


Click the Next> button to continue





1
The OLI Engine chemistry generator is supplied with the OLI Alliance Suite for Aspen PLUS and is very similar to the
chemistry generator used for ESP. This will be shown in Chapter 6.
2-16 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface


Here we can select the thermodynamic framework. There are two offered by OLI: the traditional aqueous model and the
mixed-solvent electrolyte framework. This latter framework is also known as the H3O+(hydronium ion) framework. We
can also select databases in addition to the PUBLIC database. These databases listed contain data that limited to a more
specific region of thermodynamic space than the PUBLIC database or contains data that is missing from the public
database. For this example we will only use the PUBLIC database.

Click the Next> button to continue

Figure 2-2 Adding components

We are now ready to add the components for this example. Click the Add button.

A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-17

Figure 2-3 Select Components

We now need to add our components of ammonia (NH3), carbon dioxide (CO2), sulfur dioxide (SO2), hydrochloric
acid (HCL), sulfuric acid (H2SO4) and sodium hydroxide (NAOH).

We can scroll through the list or enter the component ID and let the software find the component. We will try the latter
technique, enter the component ID NH3


Figure 2-4 Adding NH3, ammonia

You can see that the screen automatically scrolled as you entered letters. The current component NH3 is highlighted.
Click the Add button. Repeat this action for the remaining components. Click the Close button when done.

2-18 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface

Figure 2-5 the added components
Click the Next> button.


Figure 2-6 adding redox
On this screen we can add oxidation and reduction to the chemistry. We will not do so for this example. Click the Next>
button.
A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-19

Figure 2-7 Selecting phases, including solids
On this screen we can enable vapor and second liquid (non-aqueous) phases.

By default the vapor phase is enabled and the second liquid phase is disabled. We can also turn off all potential solid
phases or select individual solids to exclude. Occasionally the user will have prior knowledge of which solid phases will
be present.

Eliminating solids that are not possible can dramatically increase the execution speed of the program.

Click Next> to continue.

Figure 2-8 Aspen Alias names
Many times OLI will have a component that Aspen PLUS will not. For those cases an alias name has to be provided to
allow the two programs to properly communicate.

Click the Next> button.

2-20 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface

Figure 2-9 BKP file options
OLI initially communicates to Aspen PLUS via the BKP file. We will shortly create a flowsheet without any unit
operations. The BKP file will initially have the same name as the chemistry model but you may change the name if you
wish.

A second option is to allow the solid salts to precipitate. This is the default option. Alternatively you can dramatically
increase the speed of execution by setting the salts to be dissociated. It is recommended for OLI models that you accept
the default choices.

Click the Next> button.


Figure 2-10 Almost done

We are almost done with the chemistry model generation. This is the summary screen of what we have selected. Please
review it to make sure you have made the choices you require. Click the Generate Files Now button.

If the model was successfully generated you will receive this message:
A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-21


Figure 2-11 completed
Click the OK button.


Figure 2-12 Done
We are now done with the chemistry model generation. Notice that the Generate Files Now button and the Next> button
are gray. Click the Finish button.

We create a BKP file and an ASP file. We will use the BKP file in a moment. The ASP file is the old Aspen INP file.
We have renamed the file from INP to ASP since OLI also uses a file with extension INP.
2
Here is the contents of the
file. It can be renamed to INP to be used with the Aspen PLUS Simulation Engine.
File NEUTRAL.ASP

TI TLE " "
;
DESCRI PTI ON " "
;
RUN- CONTROL MAX- TI ME=36000
;

2
The INP file is used with OLIs ProChem software.
2-22 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface
HI STORY MSG- LEVEL SI M- LEVEL=4 STREAM- LEVEL=4
;
I N- UNI TS ENG
OUT- UNI TS ENG
;
DATABANKS ASPENPCD / AQUEOUS / SOLI DS / I NORGANI C / PURE12
;
COMPONENTS H2O H2O / CO2 CO2 / H2SO4 H2SO4 / HCL HCL / NH3 H3N /
SO2 O2S / SO3 O3S / NAHCO3 NAHCO3 / H2CO3I N H2CO3 /
H2SO3I N H2SO3 / HNH2CO2 / NA2CO3 NA2CO3 /
NACO3W10 " NA2CO3. 10H2O" / NACO3W1 " NA2CO3. H2O" /
NACO3W7 " NA2CO3. 7H2O" / NA2O / NA2SO3 / NA2SO3W7 /
NA2SO4 NA2SO4 / NA2STW10 / NA2SOM / NA3HCO32 /
NA3HSO42 / NA3OHSO4 / NA5H3C34 / NASCO3 /
NA8OHO43 / NACL NACL / NAHSO3I N / NAHSO4 /
NANH2CO2 / NANH4SO4 / NANH4SW4 / NAOHW1 /
NH42CO3 / NH4SO3 " ( NH4) 2SO3" / NH42SUW1 /
NH4SO4 " ( NH4) 2SO4" / NH43HSO4 / NH44H2 / NH4CL NH4CL /
NH4CLB / NH4CO2NH / NH4H3S42 / NH4HCO /
NH5SO3 NH5SO3 / NH4HSO / NH4OHI N NH4OH / NAOH NAOH /
TRONA / WEGSCH / NA2CO3- S NA2CO3 / NA2SO3- S /
NA2SOM- S / NA2SO4- S NA2SO4 / NA3SO4- S / NASCO3- S /
NACL- S NACL / NAHCO3- S NAHCO3 / NAHSO4- S / NAOH- S NAOH /
NH4SO3- S " ( NH4) 2SO3" / NH4SO4- S " ( NH4) 2SO4" / NH44H2- S /
NH4CL- S NH4CL / NH4HCO- S / NH5SO3- S NH5SO3 / TRONA- S /
WEGSCH- S / OH- OH- / CO3- 2 CO3- 2 / HCO3- HCO3- / H+ H+ /
HSO3- HSO3- / HSO4- HSO4- / NACO3- NACO3- / NA+ NA+ /
NASO4- NASO4- / NH2CO2- NH2COO- / NH4+ NH4+ / NH4SO4- /
CL- CL- / S2O5- 2 / SO3- 2 SO3- 2 / SO4- 2 SO4- 2
;
CHEMI STRY NEUTRAL1
PARAM KBASI S=MOLAL
STOI C 1 CO2 - 1/ H2O - 1/ H+ 1/ HCO3- 1
STOI C 2 HCO3- - 1/ H+ 1/ CO3- 2 1
STOI C 3 HSO3- - 1/ H+ 1/ SO3- 2 1
STOI C 4 HSO4- - 1/ H+ 1/ SO4- 2 1
STOI C 5 NACO3- - 1/ NA+ 1/ CO3- 2 1
STOI C 6 NAHCO3 - 1/ NA+ 1/ HCO3- 1
STOI C 7 NASO4- - 1/ NA+ 1/ SO4- 2 1
STOI C 8 NH2CO2- - 1/ H2O - 1/ NH3 1/ HCO3- 1
STOI C 9 NH3 - 1/ H2O - 1/ NH4+ 1/ OH- 1
STOI C 10 H2SO4 - 1/ H+ 1/ HSO4- 1
STOI C 11 NH4SO4- - 1/ NH4+ 1/ SO4- 2 1
STOI C 12 S2O5- 2 - 1/ H2O - 1/ SO3- 2 2/ H+ 2
STOI C 13 SO2 - 1/ H2O - 1/ HSO3- 1/ H+ 1
STOI C 14 H2O - 1/ H+ 1/ OH- 1
STOI C 15 SO3 - 1/ H2O - 1/ H2SO4 1
STOI C 16 HCL - 1/ H+ 1/ CL- 1
SALT NACO3W10 NA+ 2/ CO3- 2 1/ H2O 10
SALT NACO3W1 NA+ 2/ CO3- 2 1/ H2O 1
SALT NACO3W7 NA+ 2/ CO3- 2 1/ H2O 7
SALT NA2CO3- S NA+ 2/ CO3- 2 1
SALT NA2SO3W7 NA+ 2/ SO3- 2 1/ H2O 7
SALT NA2SO3- S NA+ 2/ SO3- 2 1
SALT NA2STW10 NA+ 2/ SO4- 2 1/ H2O 10
SALT NA2SOM- S NA+ 2/ SO4- 2 1
SALT NA2SO4- S NA+ 2/ SO4- 2 1
SALT NA3SO4- S NA+ 3/ HSO4- 1/ SO4- 2 1
SALT NASCO3- S NA+ 6/ SO4- 2 2/ CO3- 2 1
SALT NACL- S NA+ 1/ CL- 1
SALT NAHCO3- S NA+ 1/ HCO3- 1
SALT NAHSO4- S NA+ 1/ HSO4- 1
SALT NANH4SW4 NA+ 2/ NH4+ 2/ SO4- 2 2/ H2O 4
SALT NAOHW1 NA+ 1/ OH- 1/ H2O 1
SALT NAOH- S NA+ 1/ OH- 1
SALT NH42SUW1 NH4+ 2/ SO3- 2 1/ H2O 1
SALT NH4SO3- S NH4+ 2/ SO3- 2 1
SALT NH4SO4- S NH4+ 2/ SO4- 2 1
SALT NH44H2- S NH4+ 4/ HCO3- 2/ CO3- 2 1
SALT NH4CL- S NH4+ 1/ CL- 1
SALT NH4HCO- S NH4+ 1/ HCO3- 1
A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-23
SALT NH5SO3- S NH4+ 1/ HSO3- 1
SALT TRONA- S NA+ 3/ CO3- 2 1/ HCO3- 1/ H2O 2
SALT WEGSCH- S NA+ 5/ HCO3- 3/ CO3- 2 1
DI SS H2CO3I N CO3- 2 1/ H+ 2
DI SS H2SO3I N H+ 2/ SO3- 2 1
DI SS HNH2CO2 OH- - 1/ CO3- 2 1/ NH4+ 1
DI SS NA2O OH- 1/ H+ - 1/ NA+ 2
DI SS NA3HCO32 CO3- 2 2/ H+ 1/ NA+ 3
DI SS NA3OHSO4 OH- 1/ NA+ 3/ SO4- 2 1
DI SS NA5H3C34 CO3- 2 4/ H+ 3/ NA+ 5
DI SS NA8OHO43 OH- 2/ NA+ 8/ SO4- 2 3
DI SS NAHSO3I N H+ 1/ NA+ 1/ SO3- 2 1
DI SS NANH2CO2 OH- - 1/ CO3- 2 1/ H+ - 1/ NA+ 1/ NH4+ 1
DI SS NANH4SO4 NA+ 2/ NH4+ 2/ SO4- 2 2
DI SS NH42CO3 CO3- 2 1/ NH4+ 2
DI SS NH43HSO4 H+ 1/ NH4+ 3/ SO4- 2 2
DI SS NH4CLB NH4+ 1/ CL- 1
DI SS NH4CO2NH OH- - 1/ CO3- 2 1/ H+ - 1/ NH4+ 2
DI SS NH4H3S42 H+ 3/ NH4+ 1/ SO4- 2 2
DI SS NH4HSO H+ 1/ NH4+ 1/ SO4- 2 1
DI SS NH4OHI N OH- 1/ NH4+ 1
K- STOI C 1 274. 3143 - 13853. 97 - 42. 55512 - 9. 35911E- 12
K- STOI C 2 187. 8923 - 10927. 02 - 30. 71968 4. 74310E- 12
K- STOI C 3 231. 4342 - 10086. 37 - 37. 59432 - 3. 33801E- 11
K- STOI C 4 222. 0421 - 7989. 432 - 35. 06795 - 1. 59179E- 11
K- STOI C 5 146. 5037 - 8492. 473 - 20. 93559 - 4. 65045E- 14
K- STOI C 6 9. 496595 - 2941. 239 - 5. 45607E- 09 6. 82355E- 12
K- STOI C 7 202. 2876 - 9375. 568 - 30. 35734 - 5. 67642E- 12
K- STOI C 8 0. 8723622 - 2152. 36 0. 9828223 5. 15601E- 12
K- STOI C 9 169. 0995 - 8416. 237 - 26. 64672 - 1. 49655E- 11
K- STOI C 10 - 6. 386932 - 716. 4902 7. 038603 - 0. 02462777
K- STOI C 11 172. 2233 - 7652. 021 - 26. 17011 - 5. 46185E- 12
K- STOI C 12 375. 4849 - 16206. 57 - 60. 24001 - 4. 04857E- 11
K- STOI C 13 14. 59764 - 1754. 149 1. 22817E- 08 - 0. 04358174
K- STOI C 14 161. 486 - 14337. 67 - 25. 55966 2. 23432E- 14
K- STOI C 15 214. 1457 - 8208. 519 - 31. 18261 - 7. 80728E- 12
K- STOI C 16 1221. 599 - 30089. 27 - 209. 9925 0. 3022668
K- SALT NACO3W10 - 61. 22225 3261. 021 1. 15862E- 04 0. 1637591
K- SALT NACO3W1 - 709. 1989 18797. 21 124. 5005 - 0. 2127858
K- SALT NACO3W7 8. 131359 - 4961. 292 1. 458021 - 0. 002375326
K- SALT NA2CO3- S - 2161. 618 71492. 15 363. 3245 - 0. 4887474
K- SALT NA2SO3W7 - 776. 1642 13695. 16 141. 7353 - 0. 2632824
K- SALT NA2SO3- S 765. 3626 - 15571. 38 - 138. 3232 0. 2548016
K- SALT NA2STW10 30. 22702 - 9926. 851 0. 001329232 - 2. 29933E- 06
K- SALT NA2SOM- S 156. 5277 - 34875. 86 9. 04799E- 04 - 0. 1845807
K- SALT NA2SO4- S - 912. 7236 26476. 6 157. 5281 - 0. 2495654
K- SALT NA3SO4- S - 37293. 68 996518 6511. 091 - 10. 5354
K- SALT NASCO3- S - 461. 773 10214. 57 85. 75829 - 0. 2180109
K- SALT NACL- S - 101. 3443 3583. 864 17. 4019 - 0. 02074943
K- SALT NAHCO3- S 260. 1416 - 11640. 1 - 40. 88692 0. 03532156
K- SALT NAHSO4- S 52. 37313 - 2355. 314 - 6. 774172 8. 95467E- 13
K- SALT NANH4SW4 - 0. 886898 - 3224. 782 - 4. 41571E- 07 0. 02315949
K- SALT NAOHW1 3. 850949 2152. 804 2. 98302E- 05 - 4. 81540E- 08
K- SALT NAOH- S 12. 17461 3787. 083 - 0. 5454263 - 0. 01977132
K- SALT NH42SUW1 - 1155. 201 32005. 55 198. 7862 - 0. 2933742
K- SALT NH4SO3- S - 76. 17598 - 42. 57169 - 0. 232931 0. 2121564
K- SALT NH4SO4- S - 8. 698808 - 883. 496 2. 846654 - 0. 01602627
K- SALT NH44H2- S 341. 1594 - 21067. 79 - 47. 89213 2. 99655E- 12
K- SALT NH4CL- S - 239. 2419 5199. 632 42. 61082 - 0. 06071688
K- SALT NH4HCO- S 83. 78743 - 6132. 587 - 11. 1312 3. 45985E- 12
K- SALT NH5SO3- S 50. 66551 - 2822. 077 - 5. 616502 3. 07836E- 12
K- SALT TRONA- S - 3258. 975 89420. 91 564. 0297 - 0. 8646413
K- SALT WEGSCH- S - 1050. 381 25798. 41 184. 4099 - 0. 3028805
;
PROP- DATA NEUTRAL1
PROP- LI ST ATOMNO / NOATOM
PVAL H2O 1 8 / 2. 1.
PVAL CO2 6 8 / 1. 2.
PVAL H2SO4 1 8 16 / 2. 4. 1.
PVAL HCL 17 1 / 1. 1.
PVAL NH3 1 7 / 3. 1.
2-24 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface
PVAL SO2 8 16 / 2. 1.
PVAL SO3 8 16 / 3. 1.
PVAL NAHCO3 6 1 11 8 / 1. 1. 1. 3.
PVAL H2CO3I N 6 1 8 / 1. 2. 3.
PVAL H2SO3I N 1 8 16 / 2. 3. 1.
PVAL HNH2CO2 6 1 7 8 / 1. 3. 1. 2.
PVAL NA2CO3 6 11 8 / 1. 2. 3.
PVAL NACO3W10 6 1 11 8 / 1. 20. 2. 13.
PVAL NACO3W1 6 1 11 8 / 1. 2. 2. 4.
PVAL NACO3W7 6 1 11 8 / 1. 14. 2. 10.
PVAL NA2O 11 8 / 2. 1.
PVAL NA2SO3 11 8 16 / 2. 3. 1.
PVAL NA2SO3W7 1 11 8 16 / 14. 2. 10. 1.
PVAL NA2SO4 11 8 16 / 2. 4. 1.
PVAL NA2STW10 1 11 8 16 / 20. 2. 14. 1.
PVAL NA2SOM 11 8 16 / 2. 4. 1.
PVAL NA3HCO32 6 1 11 8 / 2. 1. 3. 6.
PVAL NA3HSO42 1 11 8 16 / 1. 3. 8. 2.
PVAL NA3OHSO4 1 11 8 16 / 1. 3. 5. 1.
PVAL NA5H3C34 6 1 11 8 / 4. 3. 5. 12.
PVAL NASCO3 6 11 8 16 / 1. 6. 11. 2.
PVAL NA8OHO43 1 11 8 16 / 2. 8. 14. 3.
PVAL NACL 17 11 / 1. 1.
PVAL NAHSO3I N 1 11 8 16 / 1. 1. 3. 1.
PVAL NAHSO4 1 11 8 16 / 1. 1. 4. 1.
PVAL NANH2CO2 6 1 7 11 8 / 1. 2. 1. 1. 2.
PVAL NANH4SO4 1 7 11 8 16 / 8. 2. 2. 8. 2.
PVAL NANH4SW4 1 7 11 8 16 / 16. 2. 2. 12. 2.
PVAL NAOHW1 1 11 8 / 3. 1. 2.
PVAL NH42CO3 6 1 7 8 / 1. 8. 2. 3.
PVAL NH4SO3 1 7 8 16 / 8. 2. 3. 1.
PVAL NH42SUW1 1 7 8 16 / 10. 2. 4. 1.
PVAL NH4SO4 1 7 8 16 / 8. 2. 4. 1.
PVAL NH43HSO4 1 7 8 16 / 13. 3. 8. 2.
PVAL NH44H2 6 1 7 8 / 3. 18. 4. 9.
PVAL NH4CL 17 1 7 / 1. 4. 1.
PVAL NH4CLB 17 1 7 / 1. 4. 1.
PVAL NH4CO2NH 6 1 7 8 / 1. 6. 2. 2.
PVAL NH4H3S42 1 7 8 16 / 7. 1. 8. 2.
PVAL NH4HCO 6 1 7 8 / 1. 5. 1. 3.
PVAL NH5SO3 1 7 8 16 / 5. 1. 3. 1.
PVAL NH4HSO 1 7 8 16 / 5. 1. 4. 1.
PVAL NH4OHI N 1 7 8 / 5. 1. 1.
PVAL NAOH 1 11 8 / 1. 1. 1.
PVAL TRONA 6 1 11 8 / 2. 5. 3. 8.
PVAL WEGSCH 6 1 11 8 / 4. 3. 5. 12.
PVAL NA2CO3- S 6 11 8 / 1. 2. 3.
PVAL NA2SO3- S 11 8 16 / 2. 3. 1.
PVAL NA2SOM- S 11 8 16 / 2. 4. 1.
PVAL NA2SO4- S 11 8 16 / 2. 4. 1.
PVAL NA3SO4- S 1 11 8 16 / 1. 3. 8. 2.
PVAL NASCO3- S 6 11 8 16 / 1. 6. 11. 2.
PVAL NACL- S 17 11 / 1. 1.
PVAL NAHCO3- S 6 1 11 8 / 1. 1. 1. 3.
PVAL NAHSO4- S 1 11 8 16 / 1. 1. 4. 1.
PVAL NAOH- S 1 11 8 / 1. 1. 1.
PVAL NH4SO3- S 1 7 8 16 / 8. 2. 3. 1.
PVAL NH4SO4- S 1 7 8 16 / 8. 2. 4. 1.
PVAL NH44H2- S 6 1 7 8 / 3. 18. 4. 9.
PVAL NH4CL- S 17 1 7 / 1. 4. 1.
PVAL NH4HCO- S 6 1 7 8 / 1. 5. 1. 3.
PVAL NH5SO3- S 1 7 8 16 / 5. 1. 3. 1.
PVAL TRONA- S 6 1 11 8 / 2. 5. 3. 8.
PVAL WEGSCH- S 6 1 11 8 / 4. 3. 5. 12.
PVAL OH- 1 8 / 1. 1.
PVAL CO3- 2 6 8 / 1. 3.
PVAL HCO3- 6 1 8 / 1. 1. 3.
PVAL H+ 1 / 1.
PVAL HSO3- 1 8 16 / 1. 3. 1.
PVAL HSO4- 1 8 16 / 1. 4. 1.
PVAL NACO3- 6 11 8 / 1. 1. 3.
A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-25
PVAL NA+ 11 / 1.
PVAL NASO4- 11 8 16 / 1. 4. 1.
PVAL NH2CO2- 6 1 7 8 / 1. 2. 1. 2.
PVAL NH4+ 1 7 / 4. 1.
PVAL NH4SO4- 1 7 8 16 / 4. 1. 4. 1.
PVAL CL- 17 / 1.
PVAL S2O5- 2 8 16 / 5. 2.
PVAL SO3- 2 8 16 / 3. 1.
PVAL SO4- 2 8 16 / 4. 1.
PROP- LI ST MW/ CHARGE
PVAL H2O 18. 01534 / 0. 00
PVAL CO2 44. 00990 / 0. 00
PVAL H2SO4 98. 07954 / 0. 00
PVAL HCL 36. 46097 / 0. 00
PVAL NH3 17. 03061 / 0. 00
PVAL SO2 64. 06480 / 0. 00
PVAL SO3 80. 06420 / 0. 00
PVAL NAHCO3 84. 00724 / 0. 00
PVAL H2CO3I N 62. 0252 / 0. 00
PVAL H2SO3I N 82. 0801 / 0. 00
PVAL HNH2CO2 61. 0405 / 0. 00
PVAL NA2CO3 105. 9892 / 0. 00
PVAL NACO3W10 286. 1426 / 0. 00
PVAL NACO3W1 124. 0046 / 0. 00
PVAL NACO3W7 232. 0966 / 0. 00
PVAL NA2O 61. 9793 / 0. 00
PVAL NA2SO3 126. 0441 / 0. 00
PVAL NA2SO3W7 252. 1515 / 0. 00
PVAL NA2SO4 142. 0435 / 0. 00
PVAL NA2STW10 322. 1969 / 0. 00
PVAL NA2SOM 142. 0435 / 0. 00
PVAL NA3HCO32 189. 9965 / 0. 00
PVAL NA3HSO42 262. 1051 / 0. 00
PVAL NA3OHSO4 182. 0409 / 0. 00
PVAL NA5H3C34 358. 0110 / 0. 00
PVAL NASCO3 390. 0763 / 0. 00
PVAL NA8OHO43 506. 1253 / 0. 00
PVAL NACL 58. 4430 / 0. 00
PVAL NAHSO3I N 104. 0621 / 0. 00
PVAL NAHSO4 120. 0615 / 0. 00
PVAL NANH2CO2 83. 0225 / 0. 00
PVAL NANH4SO4 274. 1843 / 0. 00
PVAL NANH4SW4 346. 2457 / 0. 00
PVAL NAOHW1 58. 0127 / 0. 00
PVAL NH42CO3 96. 0865 / 0. 00
PVAL NH4SO3 116. 1414 / 0. 00
PVAL NH42SUW1 134. 1567 / 0. 00
PVAL NH4SO4 132. 1408 / 0. 00
PVAL NH43HSO4 247. 2509 / 0. 00
PVAL NH44H2 254. 1982 / 0. 00
PVAL NH4CL 53. 4916 / 0. 00
PVAL NH4CLB 53. 4916 / 0. 00
PVAL NH4CO2NH 78. 0711 / 0. 00
PVAL NH4H3S42 213. 1897 / 0. 00
PVAL NH4HCO 79. 0559 / 0. 00
PVAL NH5SO3 99. 1107 / 0. 00
PVAL NH4HSO 115. 1102 / 0. 00
PVAL NH4OHI N 35. 0459 / 0. 00
PVAL NAOH 39. 9973 / 0. 00
PVAL TRONA 226. 0272 / 0. 00
PVAL WEGSCH 358. 0110 / 0. 00
PVAL NA2CO3- S 105. 98920 / 0. 00
PVAL NA2SO3- S 126. 04410 / 0. 00
PVAL NA2SOM- S 142. 04350 / 0. 00
PVAL NA2SO4- S 142. 04350 / 0. 00
PVAL NA3SO4- S 262. 10510 / 0. 00
PVAL NASCO3- S 390. 07630 / 0. 00
PVAL NACL- S 58. 44297 / 0. 00
PVAL NAHCO3- S 84. 00724 / 0. 00
PVAL NAHSO4- S 120. 06150 / 0. 00
PVAL NAOH- S 39. 99734 / 0. 00
2-26 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface
PVAL NH4SO3- S 116. 14140 / 0. 00
PVAL NH4SO4- S 132. 14080 / 0. 00
PVAL NH44H2- S 254. 19820 / 0. 00
PVAL NH4CL- S 53. 49158 / 0. 00
PVAL NH4HCO- S 79. 05585 / 0. 00
PVAL NH5SO3- S 99. 11075 / 0. 00
PVAL TRONA- S 226. 02720 / 0. 00
PVAL WEGSCH- S 358. 01100 / 0. 00
PVAL OH- 17. 00737 / - 1. 00
PVAL CO3- 2 60. 00930 / - 2. 00
PVAL HCO3- 61. 01727 / - 1. 00
PVAL H+ 1. 00797 / 1. 00
PVAL HSO3- 81. 07217 / - 1. 00
PVAL HSO4- 97. 07157 / - 1. 00
PVAL NACO3- 82. 99927 / - 1. 00
PVAL NA+ 22. 98997 / 1. 00
PVAL NASO4- 119. 05360 / - 1. 00
PVAL NH2CO2- 60. 03254 / - 1. 00
PVAL NH4+ 18. 03858 / 1. 00
PVAL NH4SO4- 114. 10220 / - 1. 00
PVAL CL- 35. 45300 / - 1. 00
PVAL S2O5- 2 144. 12900 / - 2. 00
PVAL SO3- 2 80. 06420 / - 2. 00
PVAL SO4- 2 96. 06360 / - 2. 00
PROP- LI ST DHFORM / DHAQFM / VLSTD
I N- UNI TS SI
PVAL CO2 - 0. 39351E+09 / 0. 0000 / 0. 00535
PVAL H2SO4 - 0. 73273E+09 / 0. 0000 / 0. 00535
PVAL HCL - 0. 92310E+08 / 0. 0000 / 0. 00535
PVAL NH3 - 0. 46110E+08 / 0. 0000 / 0. 00535
PVAL SO2 - 0. 29691E+09 / 0. 0000 / 0. 00535
PVAL SO3 - 0. 39590E+09 / 0. 0000 / 0. 00535
PVAL NAHCO3 0. 0000 / - 0. 95469E+09 / 0. 00535
PVAL H2CO3I N 0. 0000 / 0. 0000 / 0. 00535
PVAL H2SO3I N 0. 0000 / 0. 0000 / 0. 00535
PVAL HNH2CO2 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2CO3 0. 0000 / 0. 0000 / 0. 00535
PVAL NACO3W10 0. 0000 / 0. 0000 / 0. 00535
PVAL NACO3W1 0. 0000 / 0. 0000 / 0. 00535
PVAL NACO3W7 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2O 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2SO3 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2SO3W7 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2SO4 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2STW10 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2SOM 0. 0000 / 0. 0000 / 0. 00535
PVAL NA3HCO32 0. 0000 / 0. 0000 / 0. 00535
PVAL NA3HSO42 0. 0000 / 0. 0000 / 0. 00535
PVAL NA3OHSO4 0. 0000 / 0. 0000 / 0. 00535
PVAL NA5H3C34 0. 0000 / 0. 0000 / 0. 00535
PVAL NASCO3 0. 0000 / 0. 0000 / 0. 00535
PVAL NA8OHO43 0. 0000 / 0. 0000 / 0. 00535
PVAL NACL 0. 0000 / 0. 0000 / 0. 00535
PVAL NAHSO3I N 0. 0000 / 0. 0000 / 0. 00535
PVAL NAHSO4 0. 0000 / 0. 0000 / 0. 00535
PVAL NANH2CO2 0. 0000 / 0. 0000 / 0. 00535
PVAL NANH4SO4 0. 0000 / 0. 0000 / 0. 00535
PVAL NANH4SW4 0. 0000 / 0. 0000 / 0. 00535
PVAL NAOHW1 0. 0000 / 0. 0000 / 0. 00535
PVAL NH42CO3 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4SO3 0. 0000 / 0. 0000 / 0. 00535
PVAL NH42SUW1 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4SO4 0. 0000 / 0. 0000 / 0. 00535
PVAL NH43HSO4 0. 0000 / 0. 0000 / 0. 00535
PVAL NH44H2 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4CL 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4CLB 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4CO2NH 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4H3S42 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4HCO 0. 0000 / 0. 0000 / 0. 00535
PVAL NH5SO3 0. 0000 / 0. 0000 / 0. 00535
A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-27
PVAL NH4HSO 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4OHI N 0. 0000 / 0. 0000 / 0. 00535
PVAL NAOH 0. 0000 / 0. 0000 / 0. 00535
PVAL TRONA 0. 0000 / 0. 0000 / 0. 00535
PVAL WEGSCH 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2CO3- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2SO3- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2SOM- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NA2SO4- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NA3SO4- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NASCO3- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NACL- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NAHCO3- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NAHSO4- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NAOH- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4SO3- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4SO4- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NH44H2- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4CL- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NH4HCO- S 0. 0000 / 0. 0000 / 0. 00535
PVAL NH5SO3- S 0. 0000 / 0. 0000 / 0. 00535
PVAL TRONA- S 0. 0000 / 0. 0000 / 0. 00535
PVAL WEGSCH- S 0. 0000 / 0. 0000 / 0. 00535
PVAL OH- 0. 0000 / - 0. 22999E+09 / 0. 00535
PVAL CO3- 2 0. 0000 / - 0. 67523E+09 / 0. 00535
PVAL HCO3- 0. 0000 / - 0. 68993E+09 / 0. 00535
PVAL H+ 0. 0000 / 0. 0000 / 0. 00535
PVAL HSO3- 0. 0000 / - 0. 62622E+09 / 0. 00535
PVAL HSO4- 0. 0000 / - 0. 88910E+09 / 0. 00535
PVAL NACO3- 0. 0000 / - 0. 93424E+09 / 0. 00535
PVAL NA+ 0. 0000 / - 0. 24030E+09 / 0. 00535
PVAL NASO4- 0. 0000 / - 0. 11526E+10 / 0. 00535
PVAL NH2CO2- 0. 0000 / - 0. 50577E+09 / 0. 00535
PVAL NH4+ 0. 0000 / - 0. 13326E+09 / 0. 00535
PVAL NH4SO4- 0. 0000 / - 0. 10416E+10 / 0. 00535
PVAL CL- 0. 0000 / - 0. 16708E+09 / 0. 00535
PVAL S2O5- 2 0. 0000 / - 0. 97069E+09 / 0. 00535
PVAL SO3- 2 0. 0000 / - 0. 63555E+09 / 0. 00535
PVAL SO4- 2 0. 0000 / - 0. 90960E+09 / 0. 00535
PROP- LI ST PLXANT
I N- UNI TS SI
PVAL HNH2CO2 - 1. D+20
PVAL NA2O - 1. D+20
PVAL NA2SO3 - 1. D+20
PVAL NA2SO3W7 - 1. D+20
PVAL NA2STW10 - 1. D+20
PVAL NA2SOM - 1. D+20
PVAL NA3HCO32 - 1. D+20
PVAL NA3HSO42 - 1. D+20
PVAL NA3OHSO4 - 1. D+20
PVAL NA5H3C34 - 1. D+20
PVAL NASCO3 - 1. D+20
PVAL NA8OHO43 - 1. D+20
PVAL NAHSO3I N - 1. D+20
PVAL NAHSO4 - 1. D+20
PVAL NANH2CO2 - 1. D+20
PVAL NANH4SO4 - 1. D+20
PVAL NANH4SW4 - 1. D+20
PVAL NAOHW1 - 1. D+20
PVAL NH42CO3 - 1. D+20
PVAL NH42SUW1 - 1. D+20
PVAL NH43HSO4 - 1. D+20
PVAL NH44H2 - 1. D+20
PVAL NH4CLB - 1. D+20
PVAL NH4CO2NH - 1. D+20
PVAL NH4H3S42 - 1. D+20
PVAL NH4HCO - 1. D+20
PVAL NH4HSO - 1. D+20
PVAL TRONA - 1. D+20
PVAL WEGSCH - 1. D+20
PVAL NA2SO3- S - 1. D+20
2-28 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface
PVAL NA2SOM- S - 1. D+20
PVAL NA3SO4- S - 1. D+20
PVAL NASCO3- S - 1. D+20
PVAL NAHSO4- S - 1. D+20
PVAL NH44H2- S - 1. D+20
PVAL NH4HCO- S - 1. D+20
PVAL TRONA- S - 1. D+20
PVAL WEGSCH- S - 1. D+20
PVAL OH- - 1. D+20
PVAL CO3- 2 - 1. D+20
PVAL HCO3- - 1. D+20
PVAL H+ - 1. D+20
PVAL HSO3- - 1. D+20
PVAL HSO4- - 1. D+20
PVAL NACO3- - 1. D+20
PVAL NA+ - 1. D+20
PVAL NASO4- - 1. D+20
PVAL NH2CO2- - 1. D+20
PVAL NH4+ - 1. D+20
PVAL NH4SO4- - 1. D+20
PVAL CL- - 1. D+20
PVAL S2O5- 2 - 1. D+20
PVAL SO3- 2 - 1. D+20
PVAL SO4- 2 - 1. D+20
PROP- LI ST CPI G
I N- UNI TS SI
PVAL HNH2CO2 20785. 0
PVAL NA2O 20785. 0
PVAL NA2SO3 20785. 0
PVAL NA2SO3W7 20785. 0
PVAL NA2STW10 20785. 0
PVAL NA2SOM 20785. 0
PVAL NA3HCO32 20785. 0
PVAL NA3HSO42 20785. 0
PVAL NA3OHSO4 20785. 0
PVAL NA5H3C34 20785. 0
PVAL NASCO3 20785. 0
PVAL NA8OHO43 20785. 0
PVAL NAHSO3I N 20785. 0
PVAL NAHSO4 20785. 0
PVAL NANH2CO2 20785. 0
PVAL NANH4SO4 20785. 0
PVAL NANH4SW4 20785. 0
PVAL NAOHW1 20785. 0
PVAL NH42CO3 20785. 0
PVAL NH42SUW1 20785. 0
PVAL NH43HSO4 20785. 0
PVAL NH44H2 20785. 0
PVAL NH4CLB 20785. 0
PVAL NH4CO2NH 20785. 0
PVAL NH4H3S42 20785. 0
PVAL NH4HCO 20785. 0
PVAL NH4HSO 20785. 0
PVAL TRONA 20785. 0
PVAL WEGSCH 20785. 0
PVAL NA2SO3- S 20785. 0
PVAL NA2SOM- S 20785. 0
PVAL NA3SO4- S 20785. 0
PVAL NASCO3- S 20785. 0
PVAL NAHSO4- S 20785. 0
PVAL NH44H2- S 20785. 0
PVAL NH4HCO- S 20785. 0
PVAL TRONA- S 20785. 0
PVAL WEGSCH- S 20785. 0
PVAL OH- 20785. 0
PVAL CO3- 2 20785. 0
PVAL HCO3- 20785. 0
PVAL H+ 20785. 0
PVAL HSO3- 20785. 0
PVAL HSO4- 20785. 0
PVAL NACO3- 20785. 0
A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-29
PVAL NA+ 20785. 0
PVAL NASO4- 20785. 0
PVAL NH2CO2- 20785. 0
PVAL NH4+ 20785. 0
PVAL NH4SO4- 20785. 0
PVAL CL- 20785. 0
PVAL S2O5- 2 20785. 0
PVAL SO3- 2 20785. 0
PVAL SO4- 2 20785. 0
;
PROP- SET PH PH SUBSTREAM=MI XED PHASE=L
STREAM- REPOR PROPERTI ES=PH
;
;
PROPERTI ES OLI CHEMI STRY=NEUTRAL1 TRUE- COMPS=YES
;
FLOWSHEET
;
Creating the Aspen Flowsheet

It is beyond the scope of this manual to instruct the user in how to run Aspen PLUS. We will just concentrate on the
issues unique to OLI. Start Aspen PLUS in the normal manner.

We first need to load the BKP file we just created.

Figure 2-13 Locating the BKP file
Select More Files and then click the OK button.
2-30 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface

Figure 2-14 standard windows open dialog
Locate the folder where you stored the OLI Chemistry Wizard files and the BKP file. Select the file and click Open.

Accept whatever local or network setting you must to activate the Aspen PLUS program. You may see the following
warning:

Figure 2-15 Compatibility warning
The BKP file generated by OLI is a very simple format file without any of the features available in latter versions Aspen
PLUS. It is safe to select Maintain complete upward compatibility but you may use any new features that are available.

Click the OK button.

A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-31

Figure 2-16 A blank flowsheet
We are now presented with a blank flowsheet. We will create the following process:



Figure 2-17 Neutral 1 Process
2-32 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface
This process mixes a basic stream (1) with an acidic stream (2) adiabatically in block B1. The resultant vapor stream (3)
is drawn off and the mixed liquid (4) is neutralized with a sodium hydroxide stream (5) adiabatically in block B2. A
design specification is that stream 7 is to be held to a pH of 9.0 within 0.01 pH units.

The following tables contain the Stream conditions:

Stream 1 2 5
Temperature (
o
C) 40 25 30
Pressure (atm) 1 1 1
Total flow (lbmole/hr) 200 150 100
H2O (lbmole/hr) 55.5 55.5 55.5
NH3 1 0 0
CO2 0.1 0 0
SO2 0.1 0 0
HCL 0 0.1 0
H2SO4 0 1.0 0
NAOH 0 0 1

Block B1 B2
Duty (Btu/hr) 0 0
Pressure (atm) 1 1

Design Specification DS-1
Variable Name PH
Variable Type Stream-Prop
Variable Target Stream 7
Prop-Set PH
Variable Target Value 9.0
Tolerance 0.01
Vary Stream 5
Vary Option Substream: Mixed
Variable: Mole-Flow
Lower Bound: 50
Upper Bound: 400

A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-33
Stream Results
3



STREAM I D 1 2 3 4 5
FROM : - - - - - - - - B1 B1 - - - -
TO : B1 B1 - - - - B2 B2

SUBSTREAM: MI XED
PHASE: LI QUI D LI QUI D VAPOR LI QUI D LI QUI D
COMPONENTS: LBMOL/ HR
H2O 195. 1984 147. 0848 1. 7495- 02 342. 7762 238. 4520
CO2 7. 4400- 05 0. 0 0. 2253 0. 1274 0. 0
H2SO4 0. 0 9. 5892- 11 1. 2006- 18 2. 2351- 12 0. 0
HCL 0. 0 1. 4492- 07 1. 2374- 09 1. 7257- 08 0. 0
NH3 2. 2617 0. 0 4. 4208- 11 3. 4397- 08 0. 0
SO2 2. 1473- 11 0. 0 1. 5688- 02 0. 2787 0. 0
SO3 0. 0 1. 2960- 14 8. 8815- 26 3. 5616- 16 0. 0

OH- 3. 3320- 04 4. 7653- 14 0. 0 3. 4755- 12 4. 2964
CO3- 2 7. 0989- 02 0. 0 0. 0 5. 4107- 15 0. 0
HCO3- 0. 1447 0. 0 0. 0 1. 5760- 06 0. 0
H+ 2. 2192- 09 3. 3210 0. 0 0. 7119 1. 4728- 13
HSO3- 6. 9235- 04 0. 0 0. 0 5. 8330- 02 0. 0
HSO4- 0. 0 2. 2444 0. 0 1. 3844 0. 0
NACO3- 0. 0 0. 0 0. 0 0. 0 0. 0
NA+ 0. 0 0. 0 0. 0 0. 0 4. 2964
NASO4- 0. 0 0. 0 0. 0 0. 0 0. 0
NH2CO2- 0. 1369 0. 0 0. 0 1. 2593- 14 0. 0
NH4+ 1. 1288 0. 0 0. 0 2. 9902 0. 0
NH4SO4- 0. 0 0. 0 0. 0 0. 5372 0. 0
CL- 0. 0 0. 2650 0. 0 0. 2650 0. 0
S2O5- 2 5. 2967- 12 0. 0 0. 0 2. 6261- 08 0. 0
SO3- 2 0. 3520 0. 0 0. 0 2. 2342- 07 0. 0
SO4- 2 0. 0 0. 4058 0. 0 0. 7286 0. 0
TOTAL FLOW:
LBMOL/ HR 199. 2946 153. 3210 0. 2585 349. 8579 247. 0449
LB/ HR 3625. 0069 2919. 3737 11. 2377 6533. 1429 4467. 6404
CUFT/ HR 58. 1387 44. 1667 105. 4193 102. 1074 69. 2293
STATE VARI ABLES:
TEMP F 104. 0000 77. 0000 101. 6219 101. 6219 86. 0000
PRES PSI A 14. 6959 14. 6959 14. 6959 14. 6959 14. 6959
VFRAC 0. 0 0. 0 1. 0000 0. 0 0. 0
LFRAC 1. 0000 1. 0000 0. 0 1. 0000 1. 0000
SFRAC 0. 0 0. 0 0. 0 0. 0 0. 0
ENTHALPY:
BTU/ LBMOL - 1. 2163+05 - 1. 2471+05 - 1. 6215+05 - 1. 2382+05 - 1. 2203+05
BTU/ LB - 6686. 9719 - 6549. 3512 - 3730. 4042 - 6630. 5609 - 6747. 8760
BTU/ HR - 2. 4240+07 - 1. 9120+07 - 4. 1921+04 - 4. 3318+07 - 3. 0147+07
ENTROPY:
BTU/ LBMOL- R 17. 5169 16. 3523 51. 5567 17. 4718 16. 3944
BTU/ LB- R 0. 9630 0. 8588 1. 1861 0. 9356 0. 9066
DENSI TY:
LBMOL/ CUFT 3. 4279 3. 4714 2. 4524- 03 3. 4264 3. 5685
LB/ CUFT 62. 3510 66. 0989 0. 1066 63. 9831 64. 5340
AVG MW 18. 1892 19. 0409 43. 4679 18. 6737 18. 0843

MI XED SUBSTREAM PROPERTI ES:

*** LI QUI D PHASE ***
PH 9. 3417 - 1. 0102- 02 MI SSI NG 1. 1326 13. 7227

3
Many zero rows have been eliminated from this report.
2-34 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface

6 7
- - -

STREAM I D 6 7
FROM : B2 B2
TO : - - - - - - - -

SUBSTREAM: MI XED
PHASE: MI SSI NG LI QUI D
COMPONENTS: LBMOL/ HR
H2O 0. 0 585. 1336
CO2 0. 0 8. 3178- 05
H2SO4 0. 0 9. 9321- 28
HCL 0. 0 2. 6412- 16
NH3 0. 0 1. 4203
SO2 0. 0 7. 8798- 11
SO3 0. 0 1. 6100- 31
NAHCO3 0. 0 8. 2460- 03
OH- 0. 0 4. 4950- 04
CO3- 2 0. 0 1. 9644- 02
HCO3- 0. 0 8. 1566- 02
H+ 0. 0 1. 7588- 08
HSO3- 0. 0 1. 2553- 03
HSO4- 0. 0 4. 8461- 08
NACO3- 0. 0 2. 3798- 03
NA+ 0. 0 3. 6208
NASO4- 0. 0 0. 6650
NH2CO2- 0. 0 1. 5469- 02
NH4+ 0. 0 1. 7011
NH4SO4- 0. 0 0. 3904
CL- 0. 0 0. 2650
S2O5- 2 0. 0 6. 8489- 12
SO3- 2 0. 0 0. 3358
SO4- 2 0. 0 1. 5947
TOTAL FLOW:
LBMOL/ HR 0. 0 595. 2559
LB/ HR 0. 0 1. 1001+04
CUFT/ HR 0. 0 172. 4779
STATE VARI ABLES:
TEMP F MI SSI NG 103. 9126
PRES PSI A 14. 6959 14. 6959
VFRAC MI SSI NG 0. 0
LFRAC MI SSI NG 1. 0000
SFRAC MI SSI NG 0. 0
ENTHALPY:
BTU/ LBMOL MI SSI NG - 1. 2342+05
BTU/ LB MI SSI NG - 6678. 2049
BTU/ HR MI SSI NG - 7. 3465+07
ENTROPY:
BTU/ LBMOL- R MI SSI NG 17. 3887
BTU/ LB- R MI SSI NG 0. 9409
DENSI TY:
LBMOL/ CUFT MI SSI NG 3. 4512
LB/ CUFT MI SSI NG 63. 7808
AVG MW MI SSI NG 18. 4808

MI XED SUBSTREAM PROPERTI ES:

*** LI QUI D PHASE ***
PH MI SSI NG 9. 0018

A Guide to Using The Aspen OLI Interface ASPEN Emergency Chlorine Scrubber Flowsheet 3-35
Chapter 3 ASPEN Emergency
Chlorine Scrubber Flowsheet
A Tour of the OLI-ASPEN Interface (RADFRAC example)

The following example is a simulation of a Chlorine scrubber. Caustic is used to remove chlorine from a gas stream.
The caustic feed rate to the column is adjusted to reduce the chlorine in the column overhead gas to .5 moles/hr.

Generating Chemistry Model

Using the OLI Chemistry Wizard, create a chemistry model with the following components. We recommend the name of
the model to be CHLORINE. Turn off all solids in this model.

H2O, CO2, CL2, N2, NAOH

3-36 ASPEN Emergency Chlorine Scrubber Flowsheet A Guide to Using The Aspen OLI Interface
Creating the Aspen Flowsheet

Start Aspen normally and open the Chlroine.BKP file just created.

Create the following flowsheet using the Model Manager


A Guide to Using The Aspen OLI Interface ASPEN Emergency Chlorine Scrubber Flowsheet 3-37
Caustic Feed Stream (Stream 1)


Feed Stream (Stream 2)


3-38 ASPEN Emergency Chlorine Scrubber Flowsheet A Guide to Using The Aspen OLI Interface
RADFRAC (Block B1) configuration (5 stages)




RADFRAC (Block B1) streams



A Guide to Using The Aspen OLI Interface ASPEN Emergency Chlorine Scrubber Flowsheet 3-39
RADFRAC (Block B1) pressure


RADFRAC (Block B1) estimates



3-40 ASPEN Emergency Chlorine Scrubber Flowsheet A Guide to Using The Aspen OLI Interface
Design Specs for BLOCK B1

Enter a value of 0.5 for the target. Now click on the Component tab.


Now Click the Feed/Product Streams tab

A Guide to Using The Aspen OLI Interface ASPEN Emergency Chlorine Scrubber Flowsheet 3-41


Now select the Vary Object



Vary flow rate of feed stream 1 to meet spec.

Now run the case
3-42 ASPEN Emergency Chlorine Scrubber Flowsheet A Guide to Using The Aspen OLI Interface
Stream Results


STREAM I D 1 2 3 4
FROM : - - - - - - - - B1 B1
TO : B1 B1 - - - - - - - -

SUBSTREAM: MI XED
PHASE: LI QUI D VAPOR VAPOR LI QUI D
COMPONENTS: LBMOL/ HR
H2O 122. 1216 5. 0045 10. 9120 117. 5265
CO2 0. 0 52. 0070 51. 7654 1. 4695- 02
CL2 0. 0 5. 0045 0. 1102 2. 1833- 03
HCLO 0. 0 0. 0 0. 2811 3. 2991
HCL 0. 0 0. 0 1. 6514- 11 3. 4404- 13
N2 0. 0 57. 9816 57. 9812 3. 3607- 04
NAHCO3 0. 0 0. 0 8. 3206- 32 7. 7676- 02
NAOH 0. 0 0. 0 0. 0 0. 0
H2CO3I N 0. 0 0. 0 0. 0 0. 0
NA2CO3 0. 0 0. 0 0. 0 0. 0
NA2O 0. 0 0. 0 0. 0 0. 0
NA3HCO32 0. 0 0. 0 0. 0 0. 0
NA5H3C34 0. 0 0. 0 0. 0 0. 0
NACL 0. 0 0. 0 0. 0 0. 0
NACLOI N 0. 0 0. 0 0. 0 0. 0
TRONA 0. 0 0. 0 0. 0 0. 0
WEGSCH 0. 0 0. 0 0. 0 0. 0
OH- 6. 4314 0. 0 0. 0 1. 5179- 07
CLO- 0. 0 0. 0 9. 0811- 31 1. 3119
CO3- 2 0. 0 0. 0 4. 6347- 33 3. 0622- 04
HCO3- 0. 0 0. 0 2. 5647- 31 0. 1487
H+ 1. 3657- 14 0. 0 0. 0 4. 4076- 07
NACO3- 0. 0 0. 0 1. 9663- 33 2. 0863- 04
NA+ 6. 4314 0. 0 2. 2222- 30 6. 3535
CL- 0. 0 0. 0 1. 0464- 30 4. 8921
TOTAL FLOW:
LBMOL/ HR 134. 9844 119. 9976 121. 0500 133. 6272
LB/ HR 2457. 3013 4358. 0923 4121. 5892 2693. 8044
CUFT/ HR 35. 8119 4. 7707+04 5. 0709+04 38. 8689
STATE VARI ABLES:
TEMP F 77. 0000 91. 4000 115. 0744 88. 8297
PRES PSI A 14. 6959 14. 8429 14. 6959 14. 6959
VFRAC 0. 0 1. 0000 1. 0000 0. 0
LFRAC 1. 0000 0. 0 0. 0 1. 0000
SFRAC 0. 0 0. 0 0. 0 0. 0
ENTHALPY:
BTU/ LBMOL - 1. 2076+05 - 7. 7605+04 - 8. 1556+04 - 1. 1780+05
BTU/ LB - 6633. 5141 - 2136. 8217 - 2395. 2777 - 5843. 2814
BTU/ HR - 1. 6301+07 - 9. 3125+06 - 9. 8724+06 - 1. 5741+07
ENTROPY:
BTU/ LBMOL- R 15. 0569 48. 5361 48. 5467 16. 6418
BTU/ LB- R 0. 8271 1. 3364 1. 4258 0. 8255
DENSI TY:
LBMOL/ CUFT 3. 7693 2. 5153- 03 2. 3872- 03 3. 4379
LB/ CUFT 68. 6168 9. 1351- 02 8. 1280- 02 69. 3049
AVG MW 18. 2043 36. 3182 34. 0487 20. 1591

MI XED SUBSTREAM PROPERTI ES:

*** LI QUI D PHASE ***
PH 14. 5297 MI SSI NG MI SSI NG 6. 7064

A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-43
Chapter 4 ASPEN Amine Gas
Cleanup Flowsheet

A Tour of the OLI-ASPEN Interface

The following example is a flowsheet simulation to remove H2S and
CO2 from a hydrocarbon stream using DEA. The H2S and CO2 are
absorbed in a column by the DEA at a pressure of 20 atmospheres.
The pressure is let down to 1.5 atmospheres in a flash drum. The H2S
and CO2 are then stripped from the DEA in a column by heating. The
clean DEA is then recycled back to the absorber. Both water and DEA
are added as make-up streams

4-44 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Generating Chemistry Model

Create a chemistry model using the OLI Chemistry Wizard for Aspen PLUS. We recommend that the name of the
model be called DEA. Enter the component names: H2O, CO2, H2S, CH4, C2H6, C3H8, C4H10, and DEXH
4




When done entering the component names, click the Next button to continue. You may be required to fill in some blank
names on the AspenPlus Component ID & Alias dialog. If so, use the same name as the AspenPlus ID


Figure 4-1 Missing Aspen Alias


Figure 4-2 Filled in Alias

4
This the OLI name for diethanolamine.
A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-45

Click the Next button until the model is complete. Click the Finish button when it presents itself.

The Aspen backup format file will be created and will be named DEA.BKP. This file can be opened in ASPEN Model
Manager.
Creating the Aspen Flowsheet

Start up the ASPEN PLUS by double clicking on the ASPEN icon:

Select more files and locate the file dea.bkp and open this file.

Select Data on the action bar, then Components should show the species created from ESP.

Create the following flowsheet using the Model Manager

Block B1 - RADFRAC Block B2 - RADFRAC
Block B3 - FLASH2 Block B4 - MIXER
Block B6 - HEATER
4-46 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Gas Feed Stream (Stream 1)


Water Maker-up Stream (Stream 11)



A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-47
Dea Make-up Stream (Stream 12) Specifications


Dea Make-up Stream (Stream 12) Flash Options


4-48 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Tear Stream Guess (Stream 6)



A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-49
Dea Absorber RADFRAC (Block B1) configuration


Dea Absorber RADFRAC (Block B1) streams


The Feed and Product stages may
appear in a different order depending on
how you created the flowsheet.
4-50 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Dea Absorber RADFRAC (Block B1) pressure


Dea Absorber RADFRAC (Block B1) estimates




A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-51
Dea Absorber RADFRAC (Block B1) convergence


Flash Tank FLASH2 (Block B3)

4-52 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Dea Stripper RADFRAC (Block B2) configuration


Dea Stripper RADFRAC (Block B2) streams


The Feed and Product stages may
appear in a different order depending on
how you created the flowsheet.
A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-53
Dea Stripper RADFRAC (Block B2) pressure


Dea Stripper RADFRAC (Block B2) estimates


4-54 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Dea Stripper RADFRAC (Block B2) convergence


Add Make up Water MIXER (Block B4)


A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-55
Add Make up DEA HEATER (Block B6)


We will now add a design specification to control the amount of water in the process. Open the Data Browser and find
the Flowsheeting options. Open the Flowsheeting options to Design Spec



Click the New button and enter the ID of DS-1

4-56 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface



Enter the name for the water flow rate as WATFL.



Click off the variable name and then reselect it. Then click the Edit button. Make the changes as indicated:

A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-57


Click the close button.









4-58 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Design_Spec DS-1 spec


A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-59
Design_Spec DS-1 vary



We will now create a second design specification to control the amount of diethanolamine (DEXH) in the recycle loop.
Click on the Design Spec category in the tree view.



Click the Newbutton.

Accept the default name for the design specification and then click the OK button. We will now define three variables
for diethanolamine. These variables represent the three forms of diethanolamine in the process. The first is the variable
4-60 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
DEAFL which is defined to be the neutral form of diethanolamine (DEXH). The second variable is DEXCO which is the
amine which has absorbed a carbon dioxide molecule (DEXCO2-). The final variable is DEXH2 which is the protonated
form of the amine (DEXH2+). We will then control via the design specification on the sum of these three amine forms.



Click on the New button to add the first variable DEAFL



Click OK

A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-61


Click Close and repeat the steps to add the variable DEXCO

4-62 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface


Finally repeat for the final variable DEXH2

A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-63


When complete, your define screen should look similar to the following:
4-64 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Design-Spec DS-2 define


Click on the Spec tab


A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-65
Design-Spec DS-2 spec


Click on the Vary tab.



4-66 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Design-Spec DS-2 vary


There are some thermodynamic variables required by Aspen PLUS that OLI does not provide.
Typically these are in the property PLXANT. If an error occurs during the run you will need to
update these values.

Open up the data browser and locate the PLXANT-1 property set.

A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-67


Scroll to the right to find any components that are missing these values. In this case it is the
component DEXH.




4-68 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Use the drop-down box to find the component DEXH



Enter a value of -10E+20. This effectively suppresses a calculation of the vapor phase for this
component in RADFRAC.



A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-69

We are now ready to run the simulation. Execute the process as you would normally.



4-70 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
Stream Results

1 10 11 12 2
- - - - - - - - - - - -

STREAM I D 1 10 11 12 2
FROM : - - - - B4 - - - - - - - - B1
TO : B1 B6 B4 B6 B3

SUBSTREAM: MI XED
PHASE: VAPOR LI QUI D LI QUI D LI QUI D LI QUI D
COMPONENTS: KMOL/ HR
H2O 0. 0 49. 9999 4. 2055 0. 0 49. 2232
C3H8 1. 0000 0. 0 0. 0 0. 0 1. 5711- 04
C4H10 0. 5000 0. 0 0. 0 0. 0 5. 2068- 05
CH4 92. 0000 0. 0 0. 0 0. 0 2. 3457- 02
CO2 2. 0000 2. 5264- 06 0. 0 0. 0 1. 4584- 03
DEXH 0. 0 11. 9506 0. 0 1. 0000- 09 6. 2923
C2H6 2. 0000 0. 0 0. 0 0. 0 4. 5576- 04
H2S 2. 0000 8. 2943- 06 0. 0 0. 0 1. 0952- 02
H2CO3I N 0. 0 0. 0 0. 0 0. 0 0. 0
OH- 0. 0 7. 3351- 03 7. 7077- 09 0. 0 6. 9591- 05
DEXCO2- 0. 0 1. 3038- 04 0. 0 0. 0 1. 4056
DEXH2+ 0. 0 5. 9064- 02 0. 0 0. 0 4. 3120
HCO3- 0. 0 7. 4775- 03 0. 0 0. 0 0. 3516
H+ 0. 0 1. 4114- 10 7. 7077- 09 0. 0 2. 8850- 09
HS- 0. 0 6. 0494- 03 0. 0 0. 0 1. 9715
CO3- 2 0. 0 1. 3862- 02 0. 0 0. 0 0. 2628
S- 2 0. 0 5. 1742- 03 0. 0 0. 0 2. 8817- 02
TOTAL FLOW:
KMOL/ HR 99. 5000 62. 0497 4. 2055 1. 0000- 09 63. 8843
KG/ HR 1765. 3995 2165. 2911 75. 7643 1. 0514- 07 2318. 4349
L/ MI N 1973. 5479 35. 6326 1. 2659 1. 0188- 09 34. 8277
STATE VARI ABLES:
TEMP C 30. 0000 115. 5082 25. 0000 25. 0000 72. 9978
PRES ATM 20. 1000 20. 1000 20. 1000 20. 1000 20. 0500
VFRAC 1. 0000 0. 0 0. 0 0. 0 0. 0
LFRAC 0. 0 1. 0000 1. 0000 1. 0000 1. 0000
SFRAC 0. 0 0. 0 0. 0 0. 0 0. 0
ENTHALPY:
CAL/ MOL - 1. 9310+04 - 7. 2686+04 - 6. 8304+04 - 9. 5512+04 - 7. 5562+04
CAL/ GM - 1088. 3598 - 2082. 9267 - 3791. 4266 - 908. 4561 - 2082. 1117
CAL/ SEC - 5. 3372+05 - 1. 2528+06 - 7. 9793+04 - 2. 6531- 05 - 1. 3409+06
ENTROPY:
CAL/ MOL- K 39. 2897 35. 2588 17. 0842 3. 7188 31. 5419
CAL/ GM- K 2. 2144 1. 0104 0. 9483 3. 5371- 02 0. 8691
DENSI TY:
MOL/ CC 8. 4028- 04 2. 9023- 02 5. 5368- 02 1. 6359- 02 3. 0572- 02
GM/ CC 1. 4909- 02 1. 0128 0. 9975 1. 7199 1. 1095
AVG MW 17. 7427 34. 8961 18. 0154 105. 1370 36. 2911

MI XED SUBSTREAM PROPERTI ES:

*** LI QUI D PHASE ***
PH MI SSI NG 9. 9323 6. 9927 MI SSI NG 8. 6617



A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-71
3 4 6 7 8
- - - - - - - - -

STREAM I D 3 4 6 7 8
FROM : B3 B2 B6 B3 B1
TO : B2 B4 B1 - - - - - - - -


MAX CONV. ERROR: 0. 0 0. 0 1. 5879- 05 0. 0 0. 0
SUBSTREAM: MI XED
PHASE: LI QUI D LI QUI D LI QUI D VAPOR VAPOR
COMPONENTS: KMOL/ HR
H2O 49. 2175 45. 7944 50. 0175 6. 8986- 03 0. 1910
C3H8 5. 3003- 06 5. 7844- 29 0. 0 1. 5181- 04 0. 9998
C4H10 1. 2380- 06 5. 7844- 29 0. 0 5. 0830- 05 0. 4999
CH4 1. 1311- 03 2. 6022- 26 0. 0 2. 2326- 02 91. 9765
CO2 1. 4424- 03 3. 5600- 06 5. 0369- 10 2. 5779- 03 2. 0744- 07
DEXH 6. 3012 11. 9500 11. 9494 2. 2502- 07 3. 0637- 05
C2H6 2. 0926- 05 5. 9186- 29 0. 0 4. 3483- 04 1. 9995
H2S 1. 0311- 02 1. 1039- 05 5. 6404- 08 6. 2603- 03 5. 7185- 06
H2CO3I N 0. 0 0. 0 0. 0 0. 0 0. 0
OH- 7. 0350- 05 7. 3177- 03 5. 6571- 03 0. 0 3. 4806- 33
DEXCO2- 1. 4043 6. 8032- 05 1. 6007- 02 0. 0 9. 0794- 33
DEXH2+ 4. 3043 5. 9771- 02 4. 4489- 02 0. 0 2. 7998- 32
HCO3- 0. 3502 7. 9488- 03 1. 0567- 04 0. 0 9. 5981- 35
H+ 2. 9961- 09 1. 2528- 10 2. 3009- 12 0. 0 0. 0
HS- 1. 9655 4. 9087- 03 1. 0463- 02 0. 0 6. 3433- 33
CO3- 2 0. 2630 1. 3452- 02 5. 3590- 03 0. 0 3. 9660- 33
S- 2 2. 9150- 02 6. 3121- 03 7. 6879- 04 0. 0 5. 3353- 34
TOTAL FLOW:
KMOL/ HR 63. 8482 57. 8442 62. 0497 3. 8701- 02 95. 6669
KG/ HR 2317. 6029 2089. 5268 2165. 2948 0. 8320 1612. 2596
L/ MI N 34. 9033 34. 5534 33. 9055 12. 1751 1941. 4627
STATE VARI ABLES:
TEMP C 73. 1726 122. 2390 30. 0000 73. 1726 33. 9714
PRES ATM 1. 5000 1. 5000 20. 1000 1. 5000 20. 0000
VFRAC 0. 0 0. 0 0. 0 1. 0000 1. 0000
LFRAC 1. 0000 1. 0000 1. 0000 0. 0 0. 0
SFRAC 0. 0 0. 0 0. 0 0. 0 0. 0
ENTHALPY:
CAL/ MOL - 7. 5588+04 - 7. 3005+04 - 7. 4709+04 - 2. 7593+04 - 1. 8082+04
CAL/ GM - 2082. 3984 - 2020. 9781 - 2140. 8963 - 1283. 4923 - 1072. 9175
CAL/ SEC - 1. 3406+06 - 1. 1730+06 - 1. 2877+06 - 296. 6341 - 4. 8051+05
ENTROPY:
CAL/ MOL- K 31. 3980 36. 5292 30. 1331 46. 5444 39. 2310
CAL/ GM- K 0. 8650 1. 0112 0. 8635 2. 1650 2. 3279
DENSI TY:
MOL/ CC 3. 0488- 02 2. 7901- 02 3. 0501- 02 5. 2978- 05 8. 2126- 04
GM/ CC 1. 1067 1. 0079 1. 0644 1. 1390- 03 1. 3841- 02
AVG MW 36. 2987 36. 1234 34. 8961 21. 4987 16. 8528

MI XED SUBSTREAM PROPERTI ES:

*** LI QUI D PHASE ***
PH 8. 6458 9. 9530 11. 6868 MI SSI NG MI SSI NG



4-72 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface
9
-

STREAM I D 9
FROM : B2
TO : - - - -

SUBSTREAM: MI XED
PHASE: VAPOR
COMPONENTS: KMOL/ HR
H2O 4. 0077
C3H8 5. 3003- 06
C4H10 1. 2380- 06
CH4 1. 1311- 03
CO2 1. 9974
DEXH 3. 6056- 10
C2H6 2. 0926- 05
H2S 1. 9937
H2CO3I N 0. 0
OH- 0. 0
DEXCO2- 0. 0
DEXH2+ 1. 4591- 34
HCO3- 5. 0089- 35
H+ 0. 0
HS- 9. 5925- 35
CO3- 2 0. 0
S- 2 0. 0
TOTAL FLOW:
KMOL/ HR 8. 0000
KG/ HR 228. 0759
L/ MI N 3253. 0129
STATE VARI ABLES:
TEMP C 86. 2265
PRES ATM 1. 2000
VFRAC 1. 0000
LFRAC 0. 0
SFRAC 0. 0
ENTHALPY:
CAL/ MOL - 5. 3169+04
CAL/ GM - 1864. 9416
CAL/ SEC - 1. 1815+05
ENTROPY:
CAL/ MOL- K 48. 7950
CAL/ GM- K 1. 7115
DENSI TY:
MOL/ CC 4. 0988- 05
GM/ CC 1. 1685- 03
AVG MW 28. 5095

MI XED SUBSTREAM PROPERTI ES:

*** LI QUI D PHASE ***
PH MI SSI NG

A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-73
Chapter 5 EFLASH and EFRACH
(FraChem)
Overview
Two OLI Electrolyte blocks have been added to enable the use of OLIs 4 phase
flash (EFLASH) and OLIs distillation tower (FraChem). These two blocks were
added through ASPEN user added blocks capability and are available via the
Library | Reference feature of Aspen PLUS.
The ability to separate a 4 phase system into 4 streams does not exist in Aspen
PLUS. This operation allows you to make complete phase separation.
EFLASH (Electrolyte Flash)


EFLASH
Four Outlet Material
Streams
FEEDS
HEAT
VAPOR (1)
AQUEOUS (2)
ORGANIC (3)
SOLID (4)
HEAT
.
.
.

Figure 5-1 EFLASH diagram

Three Outlet Material Streams

(1) - VAPOR
(2) - AQUEOUS & ORGANIC
(3) - SOLID

5-74 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface
Two Outlet Material Streams

(1) - VAPOR
(2) - AQUEOUS & ORGANIC & SOLID

One Outlet Material Stream

(1) - ALL PHASES

Example
In this case we will create a chemistry model as described in early sections. This
model will contain H2O, NaCl, C10H22 and N2. When prompted, select the second
organic liquid phase as well as the aqueous, vapor and solid phases.
Start Aspen PLUS as you would normally and open the BKP file you just created
using either the OLI Chemistry Wizard or OLI Chemistry Generator.

Select the Library menu item.


Select References
A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-75

If the OLI option has been purchased and the OLI Alliance Suite for Aspen PLUS has been installed
then the OLI option will appear in this dialog. Check the OLI box and then click OK.

The library has been added to the library tool bar at the bottom of the Aspen PLUS user
interface.

Use the scroll buttons to find the OLI Library (it will be at the end of this list)

The icons for the library appear at the left hand side.
5-76 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface

The EFLASH and EFRACH (a/k/a FraChem) appear on this library pallete.

Like any other icon, we can drag the icon to the work sheet. Create the following
worksheet:


B1: Eflash4
B2: Flash3

Enter the following composition for STREAM 1

Temperature 25 C
Pressure 1 ATM
H2O 100 kmol/hr
C10H22 10 kmol/hr
N2 1 kmol/hr
NaCl 20 kmol/hr



A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-77
Double-click the block B1


Add the indicated temperature and pressure in the correct units.




Click on the Stream Definitions tab.


Fill out the four streams.

5-78 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface


Close the block and open Block B2


Change the default Temperature value to Heat Duty and set a value of 0.0. Change the
Pressure to 1 ATM. Close the block.

Run the simulation.

We have separated the solid phase into STREAM 4, the vapor into STREAM 2 and a
mixed stream into STREAM 3. The Mixed Stream is then further separated by phase.


A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-79

1 2 3 4 5 6 7
MIXED VAPOR LIQUID SOLID MISSING LIQUID LIQUID

Substream:MIXED
MoleFlowlbmol/hr
H2O 220.4623 0.0530786 220.4092 0 0 7.97E03 220.4012
C10H22 22.04623 4.00E03 22.04223 0 0 22.04222 4.80E07
HCL 1.80E12 9.96E13 8.03E13 0 0 0 0
N2 2.204623 2.162302 0.0423205 0 0 0.0415593 7.61E04
NACL 0 0 0 0 0 0 0
NAOHW1 0 0 0 0 0 0 0
NAOH 0 0 0 0 0 0 0
NACLS 19.66807 0 0 19.66807 0 0 0
NAOHS 0 0 0 0 0 0 0
OH 1.39E07 0 1.39E07 0 0 0 1.39E07
H+ 1.39E07 0 1.39E07 0 0 0 1.39E07
NA+ 24.42438 0 24.42438 0 0 0 24.42438
CL 24.42438 0 24.42438 0 0 0 24.42438
TotalFlowlbmol/hr 313.23 2.219382 291.3425 19.66807 0 22.09175 269.2507
TotalFlowlb/hr 9747.232 62.09899 8535.672 1149.46 0 3137.614 5398.058
TotalFlowcuft/hr 1018.273 869.6067 140.1569 8.509561 0 68.20093 71.95598
TemperatureF 77 77 77 77 77 77
Pressurepsia 14.69595 14.69595 14.69595 14.69595 14.69595 14.69595 14.69595
VaporFrac 7.09E03 1 0 0 0 0
LiquidFrac 0.9301234 0 1 0 1 1
SolidFrac 0.0627911 0 0 1 0 0
EnthalpyBtu/lbmol 1.20E+05 2684.868 1.17E+05 1.77E+05 1.29E+05 1.16E+05
EnthalpyBtu/lb 3867.461 95.95564 4008.032 3027.367 908.7212 5809.502
EnthalpyBtu/hr 3.77E+07 5958.748 3.42E+07 3.48E+06 2.85E+06 3.14E+07
EntropyBtu/lbmolR 21.65743 45.90025 21.46558 21.76371 101.8803 14.90378
EntropyBtu/lbR 0.6959674 1.640449 0.7326705 0.3723923 0.7173327 0.7433884
Densitylbmol/cuft 0.307609 2.55E03 2.078688 2.311291 0.3239216 3.741882
Densitylb/cuft 9.572315 0.0714104 60.90083 135.0787 46.00545 75.01889
AverageMW 31.11845 27.9803 29.29772 58.44297 142.0265 20.04844
LiqVol60Fcuft/hr 1.882868 11.88138 0 68.63595
***LIQUIDPHASE***
PH 6.945542 6.945544 6.9455


Input Language

5-80 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface

BLOCK blockid EFLASH

PARAM keyword=value

Optional keywords: TEMP PRES DUTY VFRAC PH MOLEC PHASE


PARAM Default flash is adiabatic at inlet pressure. The user must specify two of the state
variables. The valid combinations are:

TEMP, PRES - Constant TP flash
DUTY, PRES - Adiabatic flash to calculate TEMP
DUTY, TEMP - Adiabatic flash to calculate PRES
VFRAC, PRES - Fixed vapor fraction, calculate TEMP
VFRAC, TEMP - Fixed vapor fraction, calculate PRES
PH, PRES - Fixed pH, calculate TEMP
PH, TEMP - Fixed pH, calculate PRES

TEMP - Temperature

PRES - Pressure, zero or negative indicates pressure drop

VFRAC - Molar vapor fraction

DUTY - Heat duty

PH - pH of the outlet

MOLEC - Default outlet streams are in the true ionic form provided all
species names have been defined in the COMPONENTS
paragraph. If MOLEC is specified in the PARAM sentence,
stream output will be in molecular form (all ions combined to
molecular components)

PHASE - No equilibrium calculation, evaluate enthalpy at T,P and Specified
phase conditions (V,L,S)

PHASE=V - ALL VAPOR PRODUCT
PHASE=L - ALL LIQUID PRODUCT
PHASE=S - ALL SOLID PRODUCT
A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-81
EFLASH Examples

_______________________________________________________________________


Example 1 Flash at a temperature=100 and pressure=14.7. Put vapor product
in stream S1, aqueous product in stream S2, organic liquid phase
in stream S3 and solid phase in stream S4..

FLOWSHEET
BLOCK FLSH IN=FEED1 FEED2 OUT=S1 S2 S3 S4

BLOCK FLSH EFLASH
PARAM TEMP=100 PRES=1

_______________________________________________________________________


Example 2 Adiabatic flash to calculate temperature. All phases put in
stream S1.

FLOWSHEET
BLOCK FLSH IN=FEED1 FEED2 OUT=S1

BLOCK FLSH EFLASH
PARAM DUTY=0. PRES=0


. .


Example 3 Flash to a vapor fraction=.2 at the inlet pressure. Put vapor phase
in steam S1, aqueous and organic in stream S2 and solid in S3.

FLOWSHEET
BLOCK FLSH IN=FEED1 FEED2 OUT=S1 S2 S3


BLOCK FLSH EFLASH
PARAM VFRAC=.2 PRES=0.

_______________________________________________________________________
5-82 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface
EFLASH Examples (Continued)
_______________________________________________________________________


Example 4 All vapor stream at 300 F and 14.7 psia

FLOWSHEET
BLOCK FLSH IN=FEED1 OUT=S1


BLOCK FLSH EFLASH
PARAM TEMP=300 PRES=14.7 PHASE=V

NOTE: There is no equilibrium calculation in this block. The outlet is assumed to be vapor at this condition and the
enthalpy is evaluated at the specified temp and pres.

________________________________________________________________________

A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-83
EFRACH (Electrolyte Distillation, Frachem)
2
3
1
N
DECANTOR
FEEDS
PRODUCTS
VAPOR OR LIQUID
HEAT
HEAT
HEAT
HEAT
HEAT HEAT

Figure 5-2 EFRACH diagram
5-84 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface
Example: Chlorine Scrubber

In this example we will rebuild the emergency chlorine scrubber from Chapter 3 in to the Frachem unit operation.

To start, we need to copy our existing model or create a new model using the Chemistry Wizard. The components are:
H2O, CO2, CL2, N2 and NaOH.

For this example, however, we need to create a new BKP file. Open the newly created BKP file and create the following
flowsheet. Remember to use the References menu item to load the OLI unit operations:



We will now begin to create the blocks. First lets enter the input streams 1 and 2. These will have the same composition
as in Chapter 3 except the units are lbmole/hr.

Here is the input for Stream 1:


A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-85
Now for the input for stream 2:


Now we need to define the EFRACH (FraChem) block. Double click the block. There are 5 stages without a condenser
or reboiler. We will be using the default tolerances and iterations. Please update the Configuration tab to look as
follows:



Now click on the Streams tab

5-86 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface
A note to OLI/ESP users, although this is an OLI block we have adopted Aspen PLUSs convention that the top stage is
number 1
5
. Stream 1 is the caustic stream and is a liquid stream. Liquid streams should enter above the vapor streams. In
our case it will enter on Stage 1.

Stream 2 is the vapor stream containing the chlorine gas. Vapor streams should enter below liquid streams. We will
have Stream 2 enter on the bottom stage 5.

The vapor distillate stream is Stream 3 and the liquid bottoms are Stream 4. We are not using any side draws for this
example.

Please update the Streams tab to match the image below.


Please click on the Pressure tab.

There is a small pressure drop across the column. Please enter the top and bottom stage pressures.



There are no exchangers or internal specifications for this unit.



5
In ESP, the bottom stage is stage 1, just the opposite of Aspen PLUS.
A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-87
Design Spec

As with the example in Chapter 3, there is a design specification for this case. We will repeat the design specification
here.

We can start by adding the design specification by following this path: Data | Flowsheeting Options | Design Spec



The following image is displayed:

5-88 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface


Click the New button.



We will accept the default name DS-1. Click the OK button.

We now need to define the variable for the specification.


A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-89
We are defining the variable CL2FLOW. This will be the specified variable of 0.5 lbmol/hr of Chorine in the distillate
flow.

Now click the EDIT button.



The variable is part of the stream. The type is Mole-Flow and we are referring to Stream 3. The component is CL2.

Update this dialog as shown. Then click the Close button.

Next click the Spec tab.

5-90 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface


The spec variable is CL2FLOW at a value of 0.5 (in lbmol/hr). We will allow the variable to be between 0.49 and 0.51
lbmol/hr.

Next click on the Vary tab.



As in Chapter 3, we will adjust the liquid stream flow rate to match the specification. The variable type is StreamVar
for Stream 1. We are adjusting the MOLE-FLOW of the stream. We do need to set some reasonable bounds for the
varied variable. Not to let the stream flow rate go below 25 lbmole/hr or more than 200 lbmole/hr seems reasonable.

Please update the dialog.

We are now ready to run the calculation. Please execute this case as you would do normally.

EFRACH Results

You can review the results as normal except that there is not block report for an OLI block. The data is available
however. You need to create a report.
A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-91

Select View | Report to display the following dialog:


No click theOK button. This will display the block report directly from the OLI solver. Unfortunately unit conversion is
not possible in this text file.


Select the OLI block by checking the box. Most of the data a user will require is in this report.


BLOCK: B1 MODEL: USER2
- - - - - - - - - - - - - - - - - - - - - - - - - - - - -
I NLET STREAMS: 1 2
OUTLET STREAMS: 3 4
FI RST PROPERTY SPECS
PROPERTY OPTI ON SET: OLI
CHEMI STRY I D: EFRACH - TRUE SPECI ES
SECOND PROPERTY SPECS
PROPERTY OPTI ON SET: OLI
CHEMI STRY I D: EFRACH - TRUE SPECI ES

*** MASS AND ENERGY BALANCE ***
I N OUT RELATI VE DI FF.
TOTAL BALANCE
MOLE( LBMOL/ HR) 101. 269 101. 167 0. 100748E- 02
MASS( LB/ HR ) 2829. 48 2829. 48 - 0. 263890E- 07
ENTHALPY( BTU/ HR ) - 0. 988034E+07 - 0. 988039E+07 0. 522189E- 05
Col umn Pr of i l e
- - - - - - - - - - - - - -
St age Temper at ur e Li qui d Rat e Vapor Rat e
F LBMOL/ HR LBMOL/ HR
1 109. 54299 46. 84070 54. 76410
5-92 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface
2 96. 13559 46. 64050 54. 92210
3 91. 08339 46. 50080 54. 66480
4 89. 13059 46. 44160 54. 52850
5 88. 53679 46. 40340 54. 47240


Aqueous Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age H2O CO2 CL2 HCLO HCL

1 0. 88978 8. 820212E- 05 2. 626613E- 06 1. 556788E- 02 2. 026352E- 15
2 0. 88042 1. 010849E- 04 1. 239067E- 05 2. 428156E- 02 3. 022325E- 15
3 0. 87918 1. 073482E- 04 1. 545393E- 05 2. 526966E- 02 2. 764672E- 15
4 0. 87909 1. 103708E- 04 1. 635422E- 05 2. 525821E- 02 2. 636510E- 15
5 0. 88101 1. 122418E- 04 1. 678189E- 05 2. 323764E- 02 2. 870844E- 15


Aqueous Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age N2 NAOH H2CO3 NA2CO3 NA2CO3. 10H2O

1 2. 276769E- 06 0. 0 0. 0 0. 0 0. 0
2 2. 399693E- 06 0. 0 0. 0 0. 0 0. 0
3 2. 485182E- 06 0. 0 0. 0 0. 0 0. 0
4 2. 528435E- 06 0. 0 0. 0 0. 0 0. 0
5 2. 560747E- 06 0. 0 0. 0 0. 0 0. 0


Aqueous Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age NA2CO3. 1H2O NA2CO3. 7H2O NA2O NA3HCO32 NA5H3CO34

1 0. 0 0. 0 0. 0 0. 0 0. 0
2 0. 0 0. 0 0. 0 0. 0 0. 0
3 0. 0 0. 0 0. 0 0. 0 0. 0
4 0. 0 0. 0 0. 0 0. 0 0. 0
5 0. 0 0. 0 0. 0 0. 0 0. 0


Aqueous Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age NACL NACLO NAHCO3 NAOH. 1H2O TRONA

1 0. 0 0. 0 7. 092011E- 04 0. 0 0. 0
2 0. 0 0. 0 5. 134660E- 04 0. 0 0. 0
3 0. 0 0. 0 5. 548476E- 04 0. 0 0. 0
4 0. 0 0. 0 5. 813750E- 04 0. 0 0. 0
5 0. 0 0. 0 5. 614361E- 04 0. 0 0. 0


Aqueous Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age WEGSCHEI DER OH- 1 CLO- 1 CO3- 2 HCO3- 1

1 0. 0 5. 941974E- 09 1. 493656E- 02 1. 110072E- 05 1. 906624E- 03
2 0. 0 1. 687359E- 09 1. 082419E- 02 2. 720466E- 06 1. 104189E- 03
3 0. 0 1. 272963E- 09 1. 019515E- 02 2. 370384E- 06 1. 101361E- 03
A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-93
4 0. 0 1. 156112E- 09 9. 919917E- 03 2. 312834E- 06 1. 118919E- 03
5 0. 0 1. 064682E- 09 8. 513581E- 03 2. 055246E- 06 1. 071013E- 03


Aqueous Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age H+1 NACO3- 1 NA+1 CL- 1

1 1. 911671E- 09 5. 454026E- 06 4. 692961E- 02 3. 005876E- 02
2 3. 215629E- 09 1. 654925E- 06 4. 733366E- 02 3. 539819E- 02
3 3. 323530E- 09 1. 559454E- 06 4. 743611E- 02 3. 613330E- 02
4 3. 321950E- 09 1. 568386E- 06 4. 747073E- 02 3. 642570E- 02
5 3. 384569E- 09 1. 406306E- 06 4. 753045E- 02 3. 794034E- 02


Vapor Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age H2O CO2 CL2 HCLO HCL

1 7. 595193E- 02 0. 42928 9. 288236E- 03 5. 244236E- 03 4. 374351E- 13
2 5. 027024E- 02 0. 43036 3. 489960E- 02 5. 609248E- 03 5. 256623E- 13
3 4. 283821E- 02 0. 43153 3. 951775E- 02 5. 004243E- 03 4. 401478E- 13
4 4. 019349E- 02 0. 43264 4. 015531E- 02 4. 696811E- 03 4. 045544E- 13
5 3. 945018E- 02 0. 43312 4. 040741E- 02 4. 208668E- 03 4. 325016E- 13


Vapor Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age N2 NAOH H2CO3 NA2CO3 NA2CO3. 10H2O

1 0. 48024 0. 0 0. 0 0. 0 0. 0
2 0. 47886 0. 0 0. 0 0. 0 0. 0
3 0. 48111 0. 0 0. 0 0. 0 0. 0
4 0. 48232 0. 0 0. 0 0. 0 0. 0
5 0. 48281 0. 0 0. 0 0. 0 0. 0


Vapor Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age NA2CO3. 1H2O NA2CO3. 7H2O NA2O NA3HCO32 NA5H3CO34

1 0. 0 0. 0 0. 0 0. 0 0. 0
2 0. 0 0. 0 0. 0 0. 0 0. 0
3 0. 0 0. 0 0. 0 0. 0 0. 0
4 0. 0 0. 0 0. 0 0. 0 0. 0
5 0. 0 0. 0 0. 0 0. 0 0. 0


Vapor Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age NACL NACLO NAHCO3 NAOH. 1H2O TRONA

1 0. 0 0. 0 0. 0 0. 0 0. 0
2 0. 0 0. 0 0. 0 0. 0 0. 0
3 0. 0 0. 0 0. 0 0. 0 0. 0
4 0. 0 0. 0 0. 0 0. 0 0. 0
5 0. 0 0. 0 0. 0 0. 0 0. 0
5-94 EFLASH and EFRACH (FraChem) A Guide to Using The Aspen OLI Interface


Vapor Composi t i on ( mol e f r act i ons)
- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
St age WEGSCHEI DER

1 0. 0
2 0. 0
3 0. 0
4 0. 0
5 0. 0


Scal i ng I ndex
- - - - - - - - - - - - -
St age NA2CO3. 10H2O NA2CO3. 1H2O NA2CO3. 7H2O NACL NAHCO3

1 <. 0001 0. 0002 <. 0001 0. 0745 0. 2307
2 <. 0001 <. 0001 <. 0001 0. 0931 0. 1619
3 <. 0001 <. 0001 <. 0001 0. 0960 0. 1726
4 <. 0001 <. 0001 <. 0001 0. 0969 0. 1798
5 <. 0001 <. 0001 <. 0001 0. 1007 0. 1724


Scal i ng I ndex
- - - - - - - - - - - - -
St age NAOH. 1H2O TRONA

1 <. 0001 0. 0002
2 <. 0001 <. 0001
3 <. 0001 <. 0001
4 <. 0001 <. 0001
5 <. 0001 <. 0001