Aspen OLI Standard Getting Started 2006

8/3/2019 Aspen OLI Standard Getting Started 2006

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

Chapter 1An Overview of theAspen 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


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1-2 An Overview of the Aspen OLI Interface A Guide to Using The Aspen OLI Interface

Disadvantages of Aspen OLI

No Corrosion No Bio-reactors

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


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Aspen OLI Unit Operations

MIXERS

FSPLIT

SEP

SEP2

HEATER

FLASH2

FLASH3

HEATX

MHEATX

RADFRAC

RSTOIC

RYIELD

RCSTR

RPLUG

PUMP

COMPR


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Aspen Property Set

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


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Property Route ID Property Route ID

PHIVMX PHIVMXO1 MUVMXL MUVMXLP1

PHILMX PHILMXO1 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 PHILPC PHILPC00

MUVMX MUVMX01 DSV DSV00

MULMX MULMX01 KVPC KVPC01

KVMX KVMX01

KLMX KLMX01

DVMX DVMX01

DLMX DLMX02

SIGLMX SIGLMX01

PHIV PHIV00

PHIL PHILO1HV 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

SIGL SIGL01

HSMX HSMXO1

PHIL PHIL00


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Property Model Set OpCodes Affected

Properties

PHIVMX PHVMXOLI 1 PHIVMX

PHILMX PHLMXOLI 1 PHILMX

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 MUV2WILK 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 DLMXSIGLMX SIG2HSS 1 1 SIGLMX

PHIV ESIG0 1 PHIV GL SL

PHIL PHILOLI 1 PHIL

DHV ESIG0 1 HV HL SL

PL PL0XANT 1 HL GL SL

DHVL DHVLWTSN 1 HL SL

DHLPC DHLPC00 1 HL SL

DGV ESIG0 1 GV

PHILPC PHILPC00 1 GL SL

DSV ESIG0 1 SV

VV ESIG0 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

SIGL SIG0HSS 1 SIGL

HSMX HSMXOLI 1 HSMX


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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 chemistrymodel is generated:

DATABANKS PROP-DATA

COMPONENTS PROPERTIES

CHEMISTRY PROP-SET pH

ASPEN user is then required to add the additional paragraphs to runthe simulation

such as:

FLOWSHEET

STREAMS

BLOCKS

ESP-NAME DB 8-CHAR ASP-ALIAS ASP-NAME

================ = ====== ========= ===========================

AR P AR AR ARGON

BCL3 V BCL3 BCL3 BORON-TRICHLORIDE

BF3 V BF3 BF3 BORON-TRIFLUORIDE

BR2 V BR2 BR2 BROMINE

CLNO V CLNO CLNO NITROSYL-CHLORIDE

CL2 P CL2 CL2 CHLORINE

PCL3 V PCL3 CL3P PHOSPHORUS-TRICHLORIDE

SICL4 V SICL4 CL4SI SILICON-TETRACHLORIDE

D2 V D2 D2 DEUTERIUM

D2O V D2O D2O DEUTERIUM-OXIDE

F2 V F2 F2 FLUORINE

NF3 V NF3 F3N NITROGEN-TRIFLUORIDE

SIF4 V SIF4 F4SI SILICON-TETRAFLUORIDE

SF6 V SF6 F6S SULFUR-HEXAFLUORIDE

HBR V HBR HBR HYDROGEN-BROMIDE

HCL P HCL HCL HYDROGEN-CHLORIDE

HF P HF HF HYDROGEN-FLUORIDE

AGION P AG+ AG+ AG+

AGCL2ION P AGCL2- AGCL2-2 AGCL2--AGSO4ION P AGSO4- AGSO4- AGSO4-

ALION P AL+3 AL+3 AL+++

ALFION P ALF+2 ALF+2 ALF++

ALF2ION P ALF2+ ALF2+ ALF2+


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Potential ProblemsMixing property options in the same flowsheet The user can mix

property options in the same flowsheet, using OLI in one block and anAspen 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 bothAspen 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 dutyon 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 beencreated.

8 Character Component Names at chemistry model generation, an 8character 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 withthe 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 forany block using the OLI property option.

Chemistry ParagraphThe chemistry paragraph created and placed inthe 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.


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Executes the standard Aspen run command to run the simulation.

Figure 1-3 EFLASH unit operation

Figure 1-4 EFRACH Block


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2-10 ASPEN Neutralization Flowsheet A Guide to Using The Aspen OLI Interface

Chapter 2ASPEN NeutralizationFlowsheet

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 mixedtogether 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%.


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A Guide to Using The Aspen OLI Interface ASPEN Neutralization Flowsheet 2-11

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 Engine1. 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 > AspenTech > Aspen Engineering Suite> Aspen OLI 2006.5

Figure 2-1 The Aspen OLI Splash Screen

This screen will close on its own in a few seconds or you can click to clear the image.

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.


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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 nameNeutral1for the model name and change the

location of the files.

Figure 2-2 Specifying the model name and location

Click theNext> button to continue

Figure 2-3 Chemistry Model name

specified


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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.2We 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 theNext> button to continue

2 We will discuss the MSE framework in Chapter 7

Figure 2-4 Selecting thermodynamic framework and

databases


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Figure 2-5 Adding components

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


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Figure 2-6 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


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Figure 2-7 Adding NH3, ammonia

You can see that the screen automatically scrolled as you entered letters. The current component NH3 is highlighted.

Click theAddbutton. Repeat this action for the remaining components. Click the Close button when done.


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Figure 2-8 the added components

Click theNext> button.


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Figure 2-9 adding redox

On this screen we can add oxidation and reduction to the chemistry. We will not do so for this example. Click theNext>

button.


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Figure 2-10 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.

ClickNext> to continue.


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Figure 2-11 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. As you can see in this example, there is no AspenPLUS alias for

NAOH. We must provide one. Enter the alias NAOH.

Figure 2-12 Alias Entered


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Figure 2-13 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 youwish. 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.



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Figure 2-14 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:

Figure 2-15 completed

Click the OKbutton.


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Figure 2-16 Done

We are now done with the chemistry model generation. Notice that the Generate Files Now button and theNext> button

are gray. Click theFinish 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.

3Here is the contents of the

file. It can be renamed to INP to be used with the Aspen PLUS Simulation Engine.

File NEUTRAL.ASP

TITLE " "

;

DESCRIPTION " "

;

RUN-CONTROL MAX-TIME=36000

;

HISTORY MSG-LEVEL SIM-LEVEL=4 STREAM-LEVEL=4

;

IN-UNITS ENG

OUT-UNITS ENG

;

DATABANKS ASPENPCD /SOLIDS /AQUEOUS /PURECOMP /INORGANIC

;

COMPONENTS H2O H2O / CO2 CO2 / H2SO4 H2SO4 / HCL HCL / NH3 H3N /

3 The INP file is used with OLIs ProChem software.


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SO2 O2S / SO3 O3S / NAHCO3 NAHCO3 / H2SO4IN H2SO4 /

NAOH NAOH / NACO3W10 "NA2CO3.10H2O" / NACO3W1 "NA2CO3.H2O" /

NACO3W7 "NA2CO3.7H2O" / NA2CO3 NA2CO3 / NA2SO3W7 /

NA2SO3 / NA2STW10 / NA2SO4 NA2SO4 / NA3SO4 /

NASCO3 / NACL NACL / NAHSO4 / NANH4SW4 / NAOHW1 /

NH42SUW1 / NH4SO3 H8N2O3S / NH4SO4 "(NH4)2SO4" /

NH44H2 / NH4CL NH4CL / NH4HCO / NH5SO3 H5NO3S /

H2CO3IN H2CO3 / H2SO3IN H2SO3 / HNH2CO2 / NAHSO3IN /

NANH2CO2 / NANH4SO4 / NH42CO3 / NH4OHIN NH4OH /

NA2CO3-S NA2CO3 / NA2SO3-S / NA2SO4-S NA2SO4 /

NA3SO4-S / NASCO3-S / NACL-S NACL / NAHCO3-S NAHCO3 /

NAHSO4-S / NAOH-S NAOH / NH4SO3-S H8N2O3S /

NH4SO4-S "(NH4)2SO4" / NH44H2-S / NH4CL-S NH4CL /

NH4HCO-S / NH5SO3-S H5NO3S / 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

;

CHEMISTRY neutral

PARAM KBASIS=MOLALSTOIC 1 CO2 -1/H2O -1/H+ 1/HCO3- 1

STOIC 2 HCO3- -1/H+ 1/CO3-2 1

STOIC 3 HSO3- -1/H+ 1/SO3-2 1

STOIC 4 HSO4- -1/H+ 1/SO4-2 1

STOIC 5 NACO3- -1/NA+ 1/CO3-2 1

STOIC 6 NAHCO3 -1/NA+ 1/HCO3- 1

STOIC 7 NASO4- -1/NA+ 1/SO4-2 1

STOIC 8 NH2CO2- -1/H2O -1/NH3 1/HCO3- 1

STOIC 9 NH3 -1/H2O -1/NH4+ 1/OH- 1

STOIC 10 H2SO4 -1/H+ 1/HSO4- 1

STOIC 11 NH4SO4- -1/NH4+ 1/SO4-2 1

STOIC 12 S2O5-2 -1/H2O -1/SO3-2 2/H+ 2

STOIC 13 SO2 -1/H2O -1/HSO3- 1/H+ 1STOIC 14 H2O -1/H+ 1/OH- 1

STOIC 15 SO3 -1/H2O -1/H2SO4 1

STOIC 16 HCL -1/H+ 1/CL- 1

DISS NAOH OH- 1/NA+ 1

DISS NACO3W10 OH- 10/CO3-2 1/H+ 10/NA+ 2



DISS NA2CO3 CO3-2 1/NA+ 2

DISS NA2SO3W7 OH- 7/H+ 7/NA+ 2/SO3-2 1

DISS NA2SO3 NA+ 2/SO3-2 1

DISS NA2STW10 OH- 10/H+ 10/NA+ 2/SO4-2 1

DISS NA2SO4 NA+ 2/SO4-2 1

DISS NA3SO4 H+ 1/NA+ 3/SO4-2 2DISS NASCO3 CO3-2 1/NA+ 6/SO4-2 2

DISS NACL NA+ 1/CL- 1

DISS NAHSO4 H+ 1/NA+ 1/SO4-2 1

DISS NANH4SW4 OH- 4/H+ 4/NA+ 2/NH4+ 2/SO4-2 2

DISS NAOHW1 OH- 2/H+ 1/NA+ 1

DISS NH42SUW1 OH- 1/H+ 1/NH4+ 2/SO3-2 1

DISS NH4SO3 NH4+ 2/SO3-2 1

DISS NH4SO4 NH4+ 2/SO4-2 1

DISS NH44H2 CO3-2 3/H+ 2/NH4+ 4


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DISS NH4CL NH4+ 1/CL- 1

DISS NH4HCO CO3-2 1/H+ 1/NH4+ 1

DISS NH5SO3 H+ 1/NH4+ 1/SO3-2 1

DISS H2CO3IN CO3-2 1/H+ 2

DISS H2SO3IN H+ 2/SO3-2 1

DISS HNH2CO2 OH- -1/CO3-2 1/NH4+ 1

DISS NAHSO3IN H+ 1/NA+ 1/SO3-2 1

DISS NANH2CO2 OH- -1/CO3-2 1/H+ -1/NA+ 1/NH4+ 1

DISS NANH4SO4 NA+ 2/NH4+ 2/SO4-2 2

DISS NH42CO3 CO3-2 1/NH4+ 2

DISS NH4OHIN OH- 1/NH4+ 1

DISS NA2CO3-S CO3-2 1/NA+ 2

DISS NA2SO3-S NA+ 2/SO3-2 1

DISS NA2SO4-S NA+ 2/SO4-2 1

DISS NA3SO4-S H+ 1/NA+ 3/SO4-2 2

DISS NASCO3-S CO3-2 1/NA+ 6/SO4-2 2

DISS NACL-S NA+ 1/CL- 1

DISS NAHCO3-S CO3-2 1/H+ 1/NA+ 1

DISS NAHSO4-S H+ 1/NA+ 1/SO4-2 1

DISS NAOH-S OH- 1/NA+ 1

DISS NH4SO3-S NH4+ 2/SO3-2 1DISS NH4SO4-S NH4+ 2/SO4-2 1

DISS NH44H2-S CO3-2 3/H+ 2/NH4+ 4

DISS NH4CL-S NH4+ 1/CL- 1

DISS NH4HCO-S CO3-2 1/H+ 1/NH4+ 1

DISS NH5SO3-S H+ 1/NH4+ 1/SO3-2 1

K-STOIC 1 274.31 -13854 -42.555 1.26650E-09

K-STOIC 2 187.89 -10927 -30.72 9.80730E-10

K-STOIC 3 231.43 -10086 -37.594 1.18890E-09

K-STOIC 4 222.04 -7989.4 -35.068 1.06350E-09

K-STOIC 5 146.5 -8492.5 -20.936 6.44280E-10

K-STOIC 6 931.09 -26379 -159.1 .21713

K-STOIC 7 167.69 -2587.2 -31.331 6.52430E-02

K-STOIC 8 6.5771 -2185.6 -2.02270E-09 2.48690E-12K-STOIC 9 169.08 -8411.8 -26.647 7.67190E-10

K-STOIC 10 -6.3869 -716.49 7.0386 -2.46280E-02

K-STOIC 11 172.22 -7652 -26.17 7.97980E-10

K-STOIC 12 375.49 -16207 -60.24 1.84300E-09

K-STOIC 13 53.382 -487.64 -9.762 2.87800E-10

K-STOIC 14 161.47 -14333 -25.56 8.03310E-10

K-STOIC 15 214.15 -8208.5 -31.183 9.98140E-10

K-STOIC 16 1221.6 -30089 -209.99 .30227

;

PROP-DATA neutral

PROP-LIST MW / CHARGE

PVAL H2O 18.0154 / .00

PVAL CO2 44.0099 / .00PVAL H2SO4 98.0796 / .00

PVAL HCL 36.4610 / .00

PVAL NH3 17.0307 / .00

PVAL SO2 64.0650 / .00

PVAL SO3 80.0642 / .00

PVAL NAHCO3 84.0073 / .00

PVAL H2SO4IN 98.0796 / .00

PVAL NAOH 39.9974 / .00

PVAL NACO3W10 286.1400 / .00


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PVAL NACO3W1 124.0050 / .00

PVAL NACO3W7 232.0970 / .00

PVAL NA2CO3 105.9890 / .00

PVAL NA2SO3W7 252.1500 / .00

PVAL NA2SO3 126.0400 / .00

PVAL NA2STW10 322.2000 / .00

PVAL NA2SO4 142.0400 / .00

PVAL NA3SO4 262.1100 / .00

PVAL NASCO3 390.0800 / .00

PVAL NACL 58.4430 / .00

PVAL NAHSO4 120.0620 / .00

PVAL NANH4SW4 346.2470 / .00

PVAL NAOHW1 58.0128 / .00

PVAL NH42SUW1 134.1570 / .00

PVAL NH4SO3 116.1420 / .00

PVAL NH4SO4 132.1410 / .00

PVAL NH44H2 254.1990 / .00

PVAL NH4CL 53.4917 / .00

PVAL NH4HCO 79.0560 / .00

PVAL NH5SO3 99.1109 / .00

PVAL H2CO3IN 62.0253 / .00PVAL H2SO3IN 82.0802 / .00

PVAL HNH2CO2 61.0406 / .00

PVAL NAHSO3IN 104.0620 / .00

PVAL NANH2CO2 83.0226 / .00

PVAL NANH4SO4 274.1840 / .00

PVAL NH42CO3 96.0867 / .00

PVAL NH4OHIN 35.0461 / .00

PVAL NA2CO3-S 105.9890 / .00

PVAL NA2SO3-S 126.0400 / .00

PVAL NA2SO4-S 142.0400 / .00

PVAL NA3SO4-S 262.1100 / .00

PVAL NASCO3-S 390.0800 / .00

PVAL NACL-S 58.4430 / .00PVAL NAHCO3-S 84.0073 / .00

PVAL NAHSO4-S 120.0620 / .00

PVAL NAOH-S 39.9974 / .00

PVAL NH4SO3-S 116.1420 / .00

PVAL NH4SO4-S 132.1410 / .00

PVAL NH44H2-S 254.1990 / .00

PVAL NH4CL-S 53.4917 / .00

PVAL NH4HCO-S 79.0560 / .00

PVAL NH5SO3-S 99.1109 / .00

PVAL OH- 17.0074 / -1.00

PVAL CO3-2 60.0093 / -2.00

PVAL HCO3- 61.0173 / -1.00

PVAL H+ 1.0080 / 1.00PVAL HSO3- 81.0722 / -1.00

PVAL HSO4- 97.0716 / -1.00

PVAL NACO3- 82.9993 / -1.00

PVAL NA+ 22.9900 / 1.00

PVAL NASO4- 119.0500 / -1.00

PVAL NH2CO2- 60.0326 / -1.00

PVAL NH4+ 18.0387 / 1.00

PVAL NH4SO4- 114.1020 / -1.00

PVAL CL- 35.4530 / -1.00


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PVAL S2O5-2 144.1290 / -2.00

PVAL SO3-2 80.0642 / -2.00

PVAL SO4-2 96.0636 / -2.00

PROP-LIST PLXANT

PVAL NA2SO3W7 -1D15

PVAL NA2SO3 -1D15

PVAL NA2STW10 -1D15

PVAL NA3SO4 -1D15

PVAL NASCO3 -1D15

PVAL NAHSO4 -1D15

PVAL NANH4SW4 -1D15

PVAL NAOHW1 -1D15

PVAL NH42SUW1 -1D15

PVAL NH44H2 -1D15

PVAL NH4HCO -1D15

PVAL HNH2CO2 -1D15

PVAL NAHSO3IN -1D15

PVAL NANH2CO2 -1D15

PVAL NANH4SO4 -1D15

PVAL NH42CO3 -1D15

PVAL NA2SO3-S -1D15PVAL NA3SO4-S -1D15

PVAL NASCO3-S -1D15

PVAL NAHSO4-S -1D15

PVAL NH44H2-S -1D15

PVAL NH4HCO-S -1D15

PVAL OH- -1D15

PVAL CO3-2 -1D15

PVAL HCO3- -1D15

PVAL H+ -1D15

PVAL HSO3- -1D15

PVAL HSO4- -1D15

PVAL NACO3- -1D15

PVAL NA+ -1D15PVAL NASO4- -1D15

PVAL NH2CO2- -1D15

PVAL NH4+ -1D15

PVAL NH4SO4- -1D15

PVAL CL- -1D15

PVAL S2O5-2 -1D15

PVAL SO3-2 -1D15

PVAL SO4-2 -1D15

;

PROP-SET PH PH SUBSTREAM=MIXED PHASE=L

STREAM-REPOR PROPERTIES=PH

;

;PROPERTIES OLI CHEMISTRY=neutral TRUE-COMPS=YES

;

FLOWSHEET

PROP-SET PH PH SUBSTREAM=MIXED PHASE=L

STREAM-REPOR PROPERTIES=PH

;

;

PROPERTIES OLI CHEMISTRY=dea TRUE-COMPS=YES


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;

FLOWSHEET

;


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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 2-17 Locating the BKP file

SelectMore Files and then click the OKbutton.


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Figure 2-18 standard windows open dialog

Locate the folder where you stored the OLI Chemistry Wizard files and the BKP file. Select the file and clickOpen.

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

warning:

Figure 2-19 Compatibility warning


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Figure 2-21 Neutral 1 Process

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 (oC) 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

Target 9.0

Tolerance 0.01


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Vary Stream 5

Vary Option Substream: Mixed

Variable: Mole-Flow

Lower Bound: 50

Upper Bound: 400


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Stream Results4

STREAM ID 1 2 3 4 5

FROM : ---- ---- B1 B1 ----

TO : B1 B1 ---- B2 B2

SUBSTREAM: MIXEDPHASE: LIQUID LIQUID VAPOR LIQUID LIQUID

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 0.0HSO4- 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 69.2293STATE VARIABLES:

TEMP F 104.0000 77.0000 101.6219 101.6219 86.0000

PRES PSIA 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

DENSITY:

LBMOL/CUFT 3.4279 3.4714 2.4524-03 3.4264 3.5685LB/CUFT 62.3510 66.0989 0.1066 63.9831 64.5340

AVG MW 18.1892 19.0409 43.4679 18.6737 18.0843

MIXED SUBSTREAM PROPERTIES:

*** LIQUID PHASE ***

PH 9.3417 -1.0102-02 MISSING 1.1326 13.7227

4 Many zero rows have been eliminated from this report.


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6 7

---

STREAM ID 6 7

FROM : B2 B2

TO : ---- ----

SUBSTREAM: MIXED

PHASE: MISSING LIQUID

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+04CUFT/HR 0.0 172.4779

STATE VARIABLES:

TEMP F MISSING 103.9126

PRES PSIA 14.6959 14.6959

VFRAC MISSING 0.0

LFRAC MISSING 1.0000

SFRAC MISSING 0.0

ENTHALPY:

BTU/LBMOL MISSING -1.2342+05

BTU/LB MISSING -6678.2049

BTU/HR MISSING -7.3465+07

ENTROPY:

BTU/LBMOL-R MISSING 17.3887

BTU/LB-R MISSING 0.9409

DENSITY:LBMOL/CUFT MISSING 3.4512

LB/CUFT MISSING 63.7808

AVG MW MISSING 18.4808



PH MISSING 9.0018


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A Guide to Using The Aspen OLI Interface ASPEN Emergency Chlorine Scrubber Flowsheet 3-37

Chapter 3ASPEN EmergencyChlorine 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.


Using the OLI Chemistry Wizard, create a chemistry model with the following components. We recommend the name of

the model to be CHLORINE

H2O, CO2, CL2, N2, NAOH


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3-38 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


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Caustic Feed Stream (Stream 1)

Feed Stream (Stream 2)


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RADFRAC (Block B1) configuration (5 stages)


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RADFRAC (Block B1) streams

RADFRAC (Block B1) pressure


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RADFRAC (Block B1) estimates


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Design Specs for BLOCK B2

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


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Vary flow rate of feed stream 1 to meet spec.


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Stream Results

STREAM ID 1 2 3 4

FROM : ---- ---- B1 B1

TO : B1 B1 ---- ----

SUBSTREAM: MIXED

PHASE: LIQUID VAPOR VAPOR LIQUID

COMPONENTS: KMOL/HR

H2O 42.3882 2.2700 4.0678 41.0068

CO2 0.0 23.5900 23.5385 4.8665-03

CL2 0.0 2.2700 0.5000 7.7402-04

HCLO 0.0 0.0 0.2696 1.0831

HCL 0.0 0.0 2.1360-11 1.2358-13

N2 0.0 26.3000 26.2998 1.1769-04

NAHCO3 0.0 0.0 1.1913-32 1.0916-02

OH- 2.2323 0.0 0.0 5.5139-08

CLO- 0.0 0.0 3.3964-31 0.4163

CO3-2 0.0 0.0 2.2146-34 9.2892-05

HCO3- 0.0 0.0 3.2250-32 3.5561-02H+ 5.3037-15 0.0 0.0 1.5311-07

NACO3- 0.0 0.0 8.1993-35 4.4784-05

NA+ 2.2323 0.0 1.0213-30 2.2213

CL- 0.0 0.0 6.4892-31 1.7692

TOTAL FLOW:

KMOL/HR 46.8528 54.4300 54.6759 46.5493

KG/HR 852.9278 1976.7975 1895.5620 934.1633

CUM/SEC 2.1555-04 0.3752 0.3926 2.3400-04

STATE VARIABLES:

TEMP C 24.9999 32.9999 42.6071 31.2537

PRES ATM 1.0100 1.0100 1.0000 1.0000

VFRAC 0.0 1.0000 1.0000 0.0

LFRAC 1.0000 0.0 0.0 1.0000SFRAC 0.0 0.0 0.0 0.0

ENTHALPY:

J/KMOL -2.8099+08 -1.8051+08 -1.8734+08 -2.7385+08

J/KG -1.5435+07 -4.9703+06 -5.4036+06 -1.3646+07

WATT -3.6570+06 -2.7292+06 -2.8452+06 -3.5410+06

ENTROPY:

J/KMOL-K 6.6357+04 2.0318+05 0.0 7.7057+04

J/KG-K 3645.1194 5594.4265 0.0 3839.7604

DENSITY:

KMOL/CUM 60.3776 4.0294-02 3.8677-02 55.2568

KG/CUM 1099.1373 1.4634 1.3408 1108.9084

AVG MW 18.2043 36.3181 34.6690 20.0682



PH 14.4320 MISSING MISSING 6.6944


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4-46 ASPEN Amine Gas Cleanup Flowsheet A Guide to Using The Aspen OLI Interface

Chapter 4ASPEN Amine GasCleanup 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 DEAare added as make-up streams


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A Guide to Using The Aspen OLI Interface ASPEN Amine Gas Cleanup Flowsheet 4-47


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 DEXH5

When done entering the component names, click theNext 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

5 This the OLI name for diethanolamine.


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Click theNext button until the model is complete. Click theFinish 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 FlowsheetStart up the ASPEN PLUS by double clicking on the ASPEN icon:

Select more files and locate the filedea.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


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Dea Make-up Stream (Stream 12)

Tear Stream Guess (Stream 6)


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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.


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Dea Absorber RADFRAC (Block B1) pressure

Dea Absorber RADFRAC (Block B1) estimates


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Dea Absorber RADFRAC (Block B1) convergence


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Flash Tank FLASH2 (Block B3)


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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.


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Dea Stripper RADFRAC (Block B2) pressure


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Dea Stripper RADFRAC (Block B2) estimates


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Dea Stripper RADFRAC (Block B2) convergence


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Add Make up Water MIXER (Block B4)

Add Make up DEA HEATER (Block B6)


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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 toDesign Spec

Click theNew button and enter the ID ofDS-1

Enter the name for the water flow rate as WATFL.


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


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Click the close button.


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Design_Spec DS-1 spec


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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 theDesign Spec category in the tree view.


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Click the Newbutton.

Accept the default name for the design specification and then click the OKbutton. We will now define three variables

for diethanolamine. These variables represent the three forms of diethanolamine in the process. The first is the variable

DEXFL 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 protonatedform of the amine (DEXH2+). We will then control via the design specification on the sum of these three amine forms.


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Click on theNew button to add the first variable DEXFL

Click OK


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ClickClose and repeat the steps to add the variable DEXCO


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Finally repeat for the final variable DEXH2

When complete, your define screen should look similar to the following:


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Design-Spec DS-2 define

Click on the Spec tab


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Design-Spec DS-2 spec

Click on the Vary tab.


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Design-Spec DS-2 vary

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


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Stream Results1 10 11 12 2

------------

STREAM ID 1 10 11 12 2

FROM : ---- B4 ---- ---- B1

TO : B1 B6 B4 B6 B3

SUBSTREAM: MIXED

PHASE: VAPOR LIQUID LIQUID LIQUID LIQUID

COMPONENTS: KMOL/HR

H2O 0.0 49.9999 4.3425 9.0895-10 49.0708

C3H8 1.0000 0.0 0.0 0.0 1.5427-04

C4H10 0.5000 0.0 0.0 0.0 5.1136-05

CH4 92.0000 0.0 0.0 0.0 2.4377-02

CO2 2.0000 2.7946-06 0.0 0.0 1.5958-03

DEXH 0.0 11.9473 0.0 9.0773-11 6.2977

C2H6 2.0000 0.0 0.0 0.0 4.4794-04

H2S 2.0000 6.3866-06 0.0 0.0 1.1459-02

H2CO3IN 0.0 0.0 0.0 0.0 0.0

OH- 0.0 7.9243-03 7.9559-09 1.3604-13 6.9206-05

DEXCO2- 0.0 1.0001-04 0.0 0.0 1.3863

DEXH2+ 0.0 5.6132-02 0.0 1.3604-13 4.3193HCO3- 0.0 7.7828-03 0.0 0.0 0.3622

H+ 0.0 1.4286-10 7.9559-09 2.1881-23 2.9723-09

HS- 0.0 4.3274-03 0.0 0.0 1.9664

CO3-2 0.0 1.3898-02 0.0 0.0 0.2716

S-2 0.0 4.1008-03 0.0 0.0 3.0553-02

TOTAL FLOW:

KMOL/HR 99.5000 62.0416 4.3425 1.0000-09 63.7431

KG/HR 1765.3995 2164.5732 78.2330 2.5936-08 2315.3019

L/MIN 1973.5478 22.4926 1.3072 3.0066-10 18.8597

STATE VARIABLES:

TEMP C 29.9999 118.3996 24.9999 24.9999 74.4951

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 0.0ENTHALPY:

CAL/MOL -1.9312+04 -7.2211+04 -6.8304+04 -7.1412+04 -7.5704+04

CAL/GM -1088.4385 -2069.7305 -3791.4240 -2753.4408 -2084.2396

CAL/SEC -5.3376+05 -1.2445+06 -8.2393+04 -1.9837-05 -1.3405+06

ENTROPY:

CAL/MOL-K 39.2889 61.2752 16.7171 23.6537 47.4515

CAL/GM-K 2.2143 1.7562 0.9279 0.9120 1.3064

DENSITY:

MOL/CC 8.4028-04 4.5972-02 5.5367-02 5.5434-02 5.6331-02

GM/CC 1.4909-02 1.6039 0.9974 1.4377 2.0460

AVG MW 17.7427 34.8890 18.0154 25.9355 36.3223


*** LIQUID PHASE ***PH MISSING 9.9257 6.9928 11.9168 8.6461


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3 4 6 7 8

---------

STREAM ID 3 4 6 7 8

FROM : B3 B2 B6 B3 B1

TO : B2 B4 B1 ---- ----

SUBSTREAM: MIXED

PHASE: LIQUID LIQUID LIQUID VAPOR VAPOR

COMPONENTS: KMOL/HR

H2O 49.0726 45.6576 50.0180 7.8550-03 0.3249

C3H8 4.7044-06 5.7699-29 0.0 1.4957-04 0.9998

C4H10 1.0977-06 5.7699-29 0.0 5.0039-05 0.4999

CH4 1.1233-03 1.1167-21 0.0 2.3253-02 91.9756

CO2 1.5147-03 3.3900-06 4.8525-10 3.0389-03 1.1187-06

DEXH 6.3045 11.9470 11.9451 2.6327-07 5.5279-05

C2H6 1.8629-05 5.7699-29 0.0 4.2931-04 1.9995

H2S 1.0544-02 7.8195-06 4.0407-08 7.7619-03 1.8738-05

H2CO3IN 0.0 0.0 0.0 0.0 0.0

OH- 6.9071-05 7.6970-03 5.9053-03 0.0 3.3735-33

DEXCO2- 1.3930 6.6224-05 1.6094-02 0.0 7.3477-33

DEXH2+ 4.3058 5.6530-02 4.2299-02 0.0 3.0679-32

HCO3- 0.3558 7.8992-03 1.0638-04 0.0 2.3069-34

H+ 3.0439-09 1.1810-10 2.1864-12 0.0 0.0

HS- 1.9599 3.6159-03 7.8388-03 0.0 6.7600-33

CO3-2 0.2683 1.3815-02 5.5807-03 0.0 5.7317-33

S-2 3.0162-02 4.8109-03 5.9639-04 0.0 7.5195-34

TOTAL FLOW:

KMOL/HR 63.7036 57.6990 62.0415 4.2539-02 95.7999

KG/HR 2314.3667 2086.3401 2164.5635 0.9352 1614.6614

L/MIN 18.9387 21.5914 18.5628 13.4128 2013.2910

STATE VARIABLES:

TEMP C 74.0245 122.2721 29.9999 74.0245 43.5640

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 -7.5733+04 -7.2505+04 -7.4676+04 -2.7951+04 -1.8047+04

CAL/GM -2084.5677 -2005.1709 -2140.3922 -1271.2448 -1070.7509

CAL/SEC -1.3401+06 -1.1621+06 -1.2869+06 -330.2704 -4.8025+05

ENTROPY:

CAL/MOL-K 47.3569 73.5384 33.4956 46.6633 0.0

CAL/GM-K 1.3035 2.0337 0.9600 2.1223 0.0

DENSITY:

MOL/CC 5.6061-02 4.4538-02 5.5704-02 5.2858-05 7.9306-04

GM/CC 2.0367 1.6104 1.9434 1.1622-03 1.3367-02

AVG MW 36.3302 36.1589 34.8889 21.9867 16.8545



PH 8.6368 9.9748 11.7076 MISSING MISSING


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9

-

STREAM ID 9

FROM : B2

TO : ----

SUBSTREAM: MIXED

PHASE: VAPOR

COMPONENTS: KMOL/HR

H2O 4.0102

C3H8 2.7685-06

C4H10 5.4829-07

CH4 7.7149-04

CO2 1.9969

DEXH 3.8551-10

C2H6 1.2360-05

H2S 1.9920

H2CO3IN 0.0

OH- 0.0

DEXCO2- 0.0

DEXH2+ 1.4507-34

HCO3- 5.2421-35

H+ 0.0

HS- 9.2746-35

CO3-2 0.0

S-2 0.0

TOTAL FLOW:

KMOL/HR 8.0000

KG/HR 228.0365

L/MIN 3253.1504

STATE VARIABLES:

TEMP C 86.2422

PRES ATM 1.2000

VFRAC 1.0000

LFRAC 0.0

SFRAC 0.0

ENTHALPY:CAL/MOL -5.3196+04

CAL/GM -1866.2356

CAL/SEC -1.1821+05

ENTROPY:

CAL/MOL-K 0.0

CAL/GM-K 0.0

DENSITY:

MOL/CC 4.0986-05

GM/CC 1.1683-03

AVG MW 28.5045



PH MISSING


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A Guide to Using The Aspen OLI Interface EFLASH and EFRACH 5-75

Chapter 5EFLASH and EFRACH

OverviewTwo 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


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5-76 EFLASH and EFRACH 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 theLibrary menu item.

SelectReferences


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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 not 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.


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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/hrC10H22 10 kmol/hr

N2 1 kmol/hr

NaCl 20 kmol/hr


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Double-click the block B1

Add the indicated temperature and pressure in the correct units.

Click on the Stream Definitionstab.

Fill out the four streams.


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Close the block and open Block B2

Change the default Temperature value toHeat Dutyand 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 amixed stream into STREAM 3. The Mixed Stream is then further separated by phase.


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1 2 3 4 5 6

MIXED VAPOR LIQUID SOLID MISSING LIQUID LIQUID

Substream:MIXED

Mole

Flow

lbmol/hr

H2O 220.4623 0.0530786 220.4092 0 0 7.97E03 220.401

C10H22 22.04623 4.00E03 22.04223 0 0 22.04222 4.80E0

HCL 1.80E12 9.96E13 8.03E13 0 0 0

N2 2.204623 2.162302 0.0423205 0 0 0.0415593 7.61E0

NACL 0 0 0 0 0 0

NAOHW1 0 0 0 0 0 0

NAOH 0 0 0 0 0 0

NACLS 19.66807 0 0 19.66807 0 0

NAOHS 0 0 0 0 0 0

OH 1.39E07 0 1.39E07 0 0 0 1.39E0

H+

1.39E

07

0 1.39E

07 0 0

0 1.39E

0

NA+ 24.42438 0 24.42438 0 0 0 24.4243

CL 24.42438 0 24.42438 0 0 0 24.4243

TotalFlow lbmol/hr 313.23 2.219382 291.3425 19.66807 0 22.09175 269.250

TotalFlow lb/hr 9747.232 62.09899 8535.672 1149.46 0 3137.614 5398.05

TotalFlow cuft/hr 1018.273 869.6067 140.1569 8.509561 0 68.20093 71.9559

TemperatureF 77 77 77 77 77 7

Pressure psia 14.69595 14.69595 14.69595 14.69595 14.69595 14.69595 14.6959

VaporFrac 7.09E03 1 0 0 0

LiquidFrac 0.9301234 0 1 0 1

SolidFrac 0.0627911 0 0 1 0

Enthalpy

Btu/lbmol1.20E+05

2684.868

1.17E+05

1.77E+05

1.29E+05

1.16E+0

Enthalpy Btu/lb 3867.461 95.95564 4008.032 3027.367 908.7212 5809.50

Enthalpy Btu/hr 3.77E+07 5958.748 3.42E+07 3.48E+06 2.85E+06 3.14E+0

Entropy Btu/lbmolR 21.65743 45.90025 21.46558 21.76371 101.8803 14.9037

Entropy Btu/lbR 0.6959674 1.640449 0.7326705 0.3723923 0.7173327 0.743388

Density lbmol/cuft 0.307609 2.55E03 2.078688 2.311291 0.3239216 3.74188

Density lb/cuft 9.572315 0.0714104 60.90083 135.0787 46.00545 75.0188

AverageMW 31.11845 27.9803 29.29772 58.44297 142.0265 20.0484

LiqVol60Fcuft/hr 1.882868 11.88138 0 68.63595

***LIQUIDPHASE***

PH 6.945542 6.945544 6.945

Input Language


82/93


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


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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.

_______________________________________________________________________


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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.

________________________________________________________________________


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EFRACH (Electrolyte Distillation)

2

3

1

N

DECANTOR

FEEDS

PRODUCTS

VAPOR OR LIQUID

HEAT HEAT

HEATHEAT

HEAT HEAT

Figure 5-2 EFRACH diagram


86/93


Input Language

BLOCK blockid EFRACH

PARAM keyword=value

keyword: NSTAGEoptional keyword: MAXIT NPRINT NCOLTY NINIF

FEEDS sid stage [phase] /...

PRODUCTS sid stage [phase] keyword=value /...

optional keyword: MOLE-FLOW

P-SPEC stage pres /...

SC-REFLUX keyword=value

keyword: MOLE-D MOLE-LN RR TEMP

HEATERS stage duty /...

STAGE-EFF stage eff /...

DECANTER

T-EST stage temp /...

V-EST stage mole-flow /...

L-EST stage mole-flow /...

VARY varyno vartype keyword=value

varytype: DUTY Q1 QN FEED-FLOW MOLE-LPROD MOLE-VPROD

keyword: STAGE

SPEC specno spectype value keyword=value

spectype: TEMP MOLE-FLOW MASS-FLOW MOLE-FRAC MASS-FRAC

keyword: STAGE PHASE COMPS

PUMP-AROUNDS FROM=stage TO=stage MOLE-FLOW=value

EFRACH (Continued)

_______________________________________________________________________

PARAM NSTAGE is required, all other parameters are optional.

NSTAGE - Number of stages in the column, including condenser

and reboiler; must be greater than 1. and less then 100.

NPRINT - Controls the amount of print to the history file.

1 - print input and final profiles


87/93


2 - same as 1 with intermediate column profiles (default)

3 - same as 2 with full intermediate stage compositions

NCOLTY - Indicates the type of column

0 - electrolyte column with two or three phase (default)

(number of phases is controlled by chemistry model)

2 - electrolyte extraction column

MAXIT - Maximum number of iterations before stopping. (default=30)

NINIF - Tower initialization flag

0 - Use previous results except for first time (default)

1 - Re-initialize tower each time in recycle loops

2 - Use previous results all the time

_______________________________________________________________________

FEEDS Used to enter inlet material and heat stream locations. Liquid

feeds are introduced onto the specified stage, vapor feeds go to

the stage above the specified stage. A mixed phase feed will

have the liquid portion to the specified stage and the vaporportion to the stage above. A vapor stream to the bottom stage

is specified with as STAGE= (NSTAGE+1). A maximum of ten feed

streams can be specified. (Heat streams must be specified last)

sid - Stream ID

stage - Stage number from the top

phase - option entry to specify phase condition of feed.

(default is to calculate based on temp and pres)


88/93


EFRACH (Continued)

_______________________________________________________________________

PRODUCTS Two product streams are required, a distillate and a bottoms.

In addition, vapor side draws and liquid side draws may be

specified for a maximum of ten product streams. (Heat streams

must be specified last)

sid - Stream ID


phase - Indicates phase condition of product stream (V or L).

phase=L .... all liquid product

phase=V .... all vapor product

MOLE-FLOW - Mole flow rate of product stream, required for all

side stream draw-offs. The distillate and bottoms

rate should not be specified.

P-SPEC Used to set the column pressure profile. At least on pressure

is required. Only the top two stages and the bottom stage are

used. The remaining stage are calculated by interpolation.


pres - Pressure

SC-REFLUX Used to specify a subcooled condenser, both the distillate and

reflux are subcooled. The default is a partial condenser with

a vapor distillate and liquid reflux. One of the following is

required (MOLE-D, MOLE-LN,or RR). The temperature is calculated

from the specified heat duty or it may also be specified.

TEMP - Condenser temperature

MOLE-D - Distillate rate out top of column

MOLE-LN - Reflux rate from condenser to top stage of the column

RR - Reflux ratio (Distillate rate/Reflux rate)

EFRACH (Continued)

_______________________________________________________________________

HEATERS May be used to enter the heater stage location and duty. Inlet

heat streams may be used in place of heater duty. Any inlet

heat streams will be added to the duty. A HEATER record is required

if the column has a condenser or reboiler.



89/93


duty - Heat duty

_______________________________________________________________________

STAGE-EFF May be used to enter Murphree stage efficiencies. These efficiencies

are applied to each component on the stage. Any missing stages will

be linear interpolated; therefore, the top and bottom stages must

be supplied.


eff - Efficiency (default=1.0)

_______________________________________________________________________

DECANTER A decanter may be specified for the condenser. The organic phase

is drawn off as distillate and the aqueous phase is refluxed back

to the column. When using this option, a temperature spec needs

to be entered to set the temperature of the condenser - varying

the condenser heat duty to achieve the temperature. A totalcondenser is assumed.

_______________________________________________________________________

T-EST Temperature estimates must be entered for the top two stages and

the bottom stage (At least one temperature estimate is required).


temp - Estimated stage temperature


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EFRACH (Continued)

_______________________________________________________________________

V-EST A vapor flow rate estimate is required for the distillate rate


mole-flow - Estimated vapor rate from the stage

L-EST A liquid flow rate estimate may be entered for the reflux rate


mole-flow - Estimated liquid rate from the stage


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EFRACH (Continued)

_______________________________________________________________________

VARY Vary may be used in conjunction with the SPEC record to achieve

some design specification. By default, all exchanger duties, feed

rates, and side draw rates are fixed at the user specified values.

varyno - Manipulated variable number

vartype - Manipulated variable type

DUTY - External heat duty on a stage (requires STAGE)

Q1 - Condenser duty

QN - Reboiler duty

FEED-FLOW - Feed rate to the column (requires STAGE)

MOLE-LPROD - Flow rate of a liquid product (req STAGE)

MOLE-VPROD - Flow rate of a vapor product (req STAGE)

STAGE - Stage number of duty, feed-flow, or product stream

_______________________________________________________________________

SPEC May be used to enter design specification. One SPEC sentence is

required for each VARY sentence.

specno - Spec number

TEMP - Temperature on a given stage (Req STAGE)

MOLE-FLOW - Total flow rate or flow rate of a group of components

MASS-FLOW from a stage (Req STAGE and PHASE, COMPS requied for a

group of components)

MOLE-FRAC - Composition of a group of components from a stage

MASS-FRAC (Req STAGE, PHASE, and COMPS) only molecular speciesmay be selected.

STAGE - Stage number from top for spec

PHASE - Phase for spec V - for vapor, L - for liquid

COMPS - List of molecular component IDs

value - Desired value for the design specification

________________________________________________________________________

EFRACH (Continued)_______________________________________________________________________

PUMP-AROUNDS May be used to specify liquid pump-arounds in the column.

Pump-arounds must be from a lower stage to a higher stage

in the column. Multiple pump-arounds can not cross one another.

FROM - Specifies the stage to pump from.

TO - Specifies the stage to pump to.


92/93


stage - Stage number from top

MOLE-FLOW - Molar flow rate of the pump-around.


93/93

EFRACH Example

_______________________________________________________________________

Example 1 A 35 stage steam stripper with condenser. Steam feed to the bottom stage and an organic stream to stage 26.

Set stage efficiency to .5 on all stages except condenser. Spec the methanol in the bottoms product to 1

ppm by varying the steam feed flow rate.

FLOWSHEET

BLOCK STRIP IN=S1 S2 OUT=S3 S4

BLOCK STRIP EFRACH

PARAM NSTAGE=35

FEEDS S1 36 / S2 26

PRODUCTS S3 1 V / S4 35

P-SPEC 1 14.7 / 35 14.7

HEATERS 1 1.0E+06

T-EST 1 209 / 2 212 / 35 215

V-EST 1 50

STAGE-EFF 1 1 / 2 .5 / 35 .5

VARY 1 FEED-FLOW STAGE=35

SPEC 1 MASS-FRAC 1.0E-06 STAGE=35 PHASE=L COMPS=METHANOL

Example 2 A 10 stage distillation column with condenser and reboiler. Feed to stage 5. Condenser is sub-cooled to 100

F and has a reflux ratio=2 (reflux rate/distillate rate). Column has

a 100 mole/hr pump-around from stage 8 to stage 2. A liquid side-draw is taken from stage 3. Both

condenser and reboiler have outlet heat streams

DEF-STREAMS HEAT Q1 QN

FLOWSHEET

BLOCK DIST IN=S1 OUT=S2 S3 S4 Q1 Q2

BLOCK DIST EFRACHPARAM NSTAGE=10

FEEDS S1 5

PRODUCTS S2 1 / S3 10 / S4 3 L MOLE-FLOW=100 / Q1 1 / QN 10

P-SPEC 1 14.7 / 2 16 /10 20

HEATERS 1 -1.0E+06/ 10 2.0E+06

SC-REFLUX TEMP=100 RR=2 Note: Q1 CALC TO GIVE 100 F COND TEMP

T-EST 1 100 / 2 212 / 10 220

V-EST 1 50 Note: ESTIMATE OF DISTILLATE RATE

PUMP-AROUND FROM=8 TO=2 MOLE-FLOW=100

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Aspen OLI Standard Getting Started 2006

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