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

A Guide to Using The Aspen OLI Interface

An Overview of the Aspen OLI Interface 1-1

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

1-2 An Overview of the Aspen OLI Interface

A Guide to Using The Aspen OLI Interface

Aspen OLI Unit Operations

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

A Guide to Using The Aspen OLI Interface

An Overview of the Aspen OLI Interface 1-3

Aspen Property Set

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

1-4 An Overview of the Aspen OLI Interface

A Guide to Using The Aspen OLI Interface

Property

Route ID PHIVMXO1 PHILMXO1 HVMXO1 HLMXO1 GVMXO1 GLMXO1 SVMXO1 SLMXO1 VVMXO1 VLMXO1 MUVMX01 MULMX01 KVMX01 KLMX01 DVMX01 DLMX02 SIGLMX01 PHIV00 PHILO1 HV00 HL00 GV00 GL00 SV00 SL00 VV00 VL01 MUV01 MUL01 KV01 KL01 DV01 DL01 SIGL01 HSMXO1 PHIL00

Property

Route ID MUVMXLP1 MUVLP01 KVMXLP01 KVLP01 DHV00 DHL00 DHLPC00 DGV00 DGL00 PHILPC00 DSV00 KVPC01

PHIVMX PHILMX HVMX HLMX GVMX GLMX SVMX SLMX VVMX VLMX MUVMX MULMX KVMX KLMX DVMX DLMX SIGLMX PHIV PHIL HV HL GV GL SV SL VV VL MUV MUL KV KL DV DL SIGL HSMX PHIL

MUVMXL MUVLP KVMXLP KVLP DHV DHL DHLPC DGV DGL PHILPC DSV KVPC

A Guide to Using The Aspen OLI Interface

An Overview of the Aspen OLI Interface 1-5

Property Model

Set

OpCodes

Affected Properties PHIVMX PHILMX HVMX HLMX GVMX GLMX SVMX SLMX VVMX VLMX MUVMX MUVMX KVMX MUV KV MULMX KVMX KVMX KV KLMX DVMX DLMX SIGLMX PHIV GL SL PHIL HV HL SL HL GL SL HL SL HL SL GV GL SL SV VV VL MUL KV KV KL DV DL SIGL HSMX

PHIVMX PHILMX HVMX HLMX GVMX GLMX SVMX SLMX VVMX VLMX MUVMXL MUVLP MULMX KVMXLP KVLP KLMX DVMX DLMX SIGLMX PHIV PHIL DHV PL DHVL DHLPC DGV PHILPC DSV VV VL MUL KVPC VV KL DV DL SIGL HSMX

PHVMXOLI PHLMXOLI HVMXOLI HLMXOLI GVMXOLI GLMXOLI SVMXOLI SLMXOLI VVMXOLI VLMXOLI MUV2WILK MUV0CEB MUL2ANDR KV2WMSM KV0STLP KL2SRVR DV1CEWL DL1WCA SIG2HSS ESIG0 PHILOLI ESIG0 PL0XANT DHVLWTSN DHLPC00 ESIG0 PHILPC00 ESIG0 ESIG0 VL0RKT MUL0ANDR KV0STPC ESRK0 KL0SR DV0CEWL DL0WCA SIG0HSS HSMXOLI

1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1

1-6 An Overview of the Aspen OLI Interface

A Guide to Using The Aspen OLI Interface

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 COMPONENTS CHEMISTRY PROP-DATA PROPERTIES 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 ================ = AR P BCL3 V BF3 V BR2 V CLNO V CL2 P PCL3 V SICL4 V D2 V D2O V F2 NF3 SIF4 SF6 HBR HCL HF AGION AGCL2ION AGSO4ION ALION ALFION ALF2ION V V V V V P P P P P P P P 8-CHAR ====== AR BCL3 BF3 BR2 CLNO CL2 PCL3 SICL4 D2 D2O F2 NF3 SIF4 SF6 HBR HCL HF AG+ AGCL2AGSO4AL+3 ALF+2 ALF2+ ASP-ALIAS ========= AR BCL3 BF3 BR2 CLNO CL2 CL3P CL4SI D2 D2O F2 F3N F4SI F6S HBR HCL HF AG+ AGCL2-2 AGSO4AL+3 ALF+2 ALF2+ ASP-NAME =========================== ARGON BORON-TRICHLORIDE BORON-TRIFLUORIDE BROMINE NITROSYL-CHLORIDE CHLORINE PHOSPHORUS-TRICHLORIDE SILICON-TETRACHLORIDE DEUTERIUM DEUTERIUM-OXIDE FLUORINE NITROGEN-TRIFLUORIDE SILICON-TETRAFLUORIDE SULFUR-HEXAFLUORIDE HYDROGEN-BROMIDE HYDROGEN-CHLORIDE HYDROGEN-FLUORIDE AG+ AGCL2-AGSO4AL+++ ALF++ ALF2+

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An Overview of the Aspen OLI Interface 1-7

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.

1-8 An Overview of the Aspen OLI Interface

A Guide to Using The Aspen OLI Interface

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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An Overview of the Aspen OLI Interface 1-9

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%.

2-10 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

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.

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.

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-11

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 2-2 Specifying the model name and location

Figure 2-3 Chemistry Model name specified

Click the Next> button to continue

2-12 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

Figure 2-4 Selecting thermodynamic framework and databases

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.2 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

We will discuss the MSE framework in Chapter 7

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-13

Figure 2-5 Adding components

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

2-14 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

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

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-15

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

2-16 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

Figure 2-8 the added components

Click the Next> button.

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-17

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 the Next> button.

2-18 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

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. Click Next> to continue.

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-19

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

2-20 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

Click the Next> button.

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 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.

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-21

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 OK button.

2-22 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

Figure 2-16 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.3 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
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.

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-23

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=MOLAL STOIC 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+ 1 STOIC 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 NACO3W1 OH- 1/CO3-2 1/H+ 1/NA+ 2 DISS NACO3W7 OH- 7/CO3-2 1/H+ 7/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 2 DISS 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

2-24 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

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+ 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 1 DISS 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-12 K-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 / .00 PVAL 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

1/NH4+

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-25

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 / .00 PVAL 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 / .00 PVAL 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 OH17.0074 / -1.00 PVAL CO3-2 60.0093 / -2.00 PVAL HCO3- 61.0173 / -1.00 PVAL H+ 1.0080 / 1.00 PVAL 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 CL35.4530 / -1.00

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A Guide to Using The Aspen OLI Interface

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 -1D15 PVAL 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+ -1D15 PVAL 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

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-27

; FLOWSHEET ;

2-28 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

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

Select More Files and then click the OK button.

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-29

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 click Open. 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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A Guide to Using The Aspen OLI Interface

The BKP file generated by OLI is a very simple format file without any of the features available in Aspen PLUS 2006 or later. It is safe to select Maintain complete upward compatibility but you may use any new features that are available. Click the OK button.

Figure 2-20 A blank flowsheet

We are now presented with a blank flowsheet. We will create the following process:

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-31

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 Temperature (oC) Pressure (atm) Total flow (lbmole/hr) H2O (lbmole/hr) NH3 CO2 SO2 HCL H2SO4 NAOH Block Duty (Btu/hr) Pressure (atm) Design Specification Variable Name Target Tolerance 1 40 1 200 55.5 1 0.1 0.1 0 0 0 B1 0 1 DS-1 PH 9.0 0.01 2 25 1 150 55.5 0 0 0 0.1 1.0 0 B2 0 1 5 30 1 100 55.5 0 0 0 0 0 1

2-32 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

Vary Vary Option

Stream 5 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 Results4
STREAM ID FROM : TO : SUBSTREAM: MIXED PHASE: COMPONENTS: LBMOL/HR H2O CO2 H2SO4 HCL NH3 SO2 SO3 OHCO3-2 HCO3H+ HSO3HSO4NACO3NA+ NASO4NH2CO2NH4+ NH4SO4CLS2O5-2 SO3-2 SO4-2 TOTAL FLOW: LBMOL/HR LB/HR CUFT/HR STATE VARIABLES: TEMP F PRES PSIA VFRAC LFRAC SFRAC ENTHALPY: BTU/LBMOL BTU/LB BTU/HR ENTROPY: BTU/LBMOL-R BTU/LB-R DENSITY: LBMOL/CUFT LB/CUFT AVG MW MIXED 1 ---B1 2 ---B1 3 B1 ---4 B1 B2 5 ---B2

LIQUID 195.1984 7.4400-05 0.0 0.0 2.2617 2.1473-11 0.0 3.3320-04 7.0989-02 0.1447 2.2192-09 6.9235-04 0.0 0.0 0.0 0.0 0.1369 1.1288 0.0 0.0 5.2967-12 0.3520 0.0 199.2946 3625.0069 58.1387 104.0000 14.6959 0.0 1.0000 0.0

LIQUID 147.0848 0.0 9.5892-11 1.4492-07 0.0 0.0 1.2960-14 4.7653-14 0.0 0.0 3.3210 0.0 2.2444 0.0 0.0 0.0 0.0 0.0 0.0 0.2650 0.0 0.0 0.4058 153.3210 2919.3737 44.1667 77.0000 14.6959 0.0 1.0000 0.0

VAPOR 1.7495-02 0.2253 1.2006-18 1.2374-09 4.4208-11 1.5688-02 8.8815-26 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2585 11.2377 105.4193 101.6219 14.6959 1.0000 0.0 0.0

LIQUID 342.7762 0.1274 2.2351-12 1.7257-08 3.4397-08 0.2787 3.5616-16 3.4755-12 5.4107-15 1.5760-06 0.7119 5.8330-02 1.3844 0.0 0.0 0.0 1.2593-14 2.9902 0.5372 0.2650 2.6261-08 2.2342-07 0.7286 349.8579 6533.1429 102.1074 101.6219 14.6959 0.0 1.0000 0.0

LIQUID 238.4520 0.0 0.0 0.0 0.0 0.0 0.0 4.2964 0.0 0.0 1.4728-13 0.0 0.0 0.0 4.2964 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 247.0449 4467.6404 69.2293 86.0000 14.6959 0.0 1.0000 0.0

-1.2163+05 -1.2471+05 -1.6215+05 -1.2382+05 -1.2203+05 -6686.9719 -6549.3512 -3730.4042 -6630.5609 -6747.8760 -2.4240+07 -1.9120+07 -4.1921+04 -4.3318+07 -3.0147+07 17.5169 0.9630 3.4279 62.3510 18.1892 16.3523 0.8588 3.4714 66.0989 19.0409 51.5567 1.1861 2.4524-03 0.1066 43.4679 17.4718 0.9356 3.4264 63.9831 18.6737 16.3944 0.9066 3.5685 64.5340 18.0843

SUBSTREAM PROPERTIES: *** 9.3417 -1.0102-02 MISSING 1.1326 13.7227

*** LIQUID PHASE PH

4

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 ID FROM : TO : SUBSTREAM: MIXED PHASE: COMPONENTS: LBMOL/HR H2O CO2 H2SO4 HCL NH3 SO2 SO3 NAHCO3 OHCO3-2 HCO3H+ HSO3HSO4NACO3NA+ NASO4NH2CO2NH4+ NH4SO4CLS2O5-2 SO3-2 SO4-2 TOTAL FLOW: LBMOL/HR LB/HR CUFT/HR STATE VARIABLES: TEMP F PRES PSIA VFRAC LFRAC SFRAC ENTHALPY: BTU/LBMOL BTU/LB BTU/HR ENTROPY: BTU/LBMOL-R BTU/LB-R DENSITY: LBMOL/CUFT LB/CUFT AVG MW MIXED 6 B2 ---7 B2 ----

MISSING 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 MISSING 14.6959 MISSING MISSING MISSING

LIQUID 585.1336 8.3178-05 9.9321-28 2.6412-16 1.4203 7.8798-11 1.6100-31 8.2460-03 4.4950-04 1.9644-02 8.1566-02 1.7588-08 1.2553-03 4.8461-08 2.3798-03 3.6208 0.6650 1.5469-02 1.7011 0.3904 0.2650 6.8489-12 0.3358 1.5947 595.2559 1.1001+04 172.4779 103.9126 14.6959 0.0 1.0000 0.0

MISSING -1.2342+05 MISSING -6678.2049 MISSING -7.3465+07 MISSING MISSING MISSING MISSING MISSING 17.3887 0.9409 3.4512 63.7808 18.4808

SUBSTREAM PROPERTIES: *** MISSING 9.0018

*** LIQUID PHASE PH

A Guide to Using The Aspen OLI Interface

ASPEN Neutralization Flowsheet 2-35

2-36 ASPEN Neutralization Flowsheet

A Guide to Using The Aspen OLI Interface

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 H2O, CO2, CL2, N2, NAOH

A Guide to Using The Aspen OLI Interface

ASPEN Emergency Chlorine Scrubber Flowsheet 3-37

Creating the Aspen Flowsheet

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

Create the following flowsheet using the Model Manager

3-38 ASPEN Emergency Chlorine Scrubber Flowsheet

A Guide to Using The Aspen OLI Interface

Caustic Feed Stream (Stream 1)

Feed Stream (Stream 2)

A Guide to Using The Aspen OLI Interface

ASPEN Emergency Chlorine Scrubber Flowsheet 3-39

RADFRAC (Block B1) configuration (5 stages)

3-40 ASPEN Emergency Chlorine Scrubber Flowsheet

A Guide to Using The Aspen OLI Interface

RADFRAC (Block B1) streams

RADFRAC (Block B1) pressure

A Guide to Using The Aspen OLI Interface

ASPEN Emergency Chlorine Scrubber Flowsheet 3-41

RADFRAC (Block B1) estimates

3-42 ASPEN Emergency Chlorine Scrubber Flowsheet

A Guide to Using The Aspen OLI Interface

Design Specs for BLOCK B2

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

A Guide to Using The Aspen OLI Interface

ASPEN Emergency Chlorine Scrubber Flowsheet 3-43

Vary flow rate of feed stream 1 to meet spec.

3-44 ASPEN Emergency Chlorine Scrubber Flowsheet

A Guide to Using The Aspen OLI Interface

Stream Results
STREAM ID FROM : TO : SUBSTREAM: MIXED PHASE: COMPONENTS: KMOL/HR H2O CO2 CL2 HCLO HCL N2 NAHCO3 OHCLOCO3-2 HCO3H+ NACO3NA+ CLTOTAL FLOW: KMOL/HR KG/HR CUM/SEC STATE VARIABLES: TEMP C PRES ATM VFRAC LFRAC SFRAC ENTHALPY: J/KMOL J/KG WATT ENTROPY: J/KMOL-K J/KG-K DENSITY: KMOL/CUM KG/CUM AVG MW MIXED 1 ---B1 2 ---B1 3 B1 ---4 B1 ----

LIQUID 42.3882 0.0 0.0 0.0 0.0 0.0 0.0 2.2323 0.0 0.0 0.0 5.3037-15 0.0 2.2323 0.0 46.8528 852.9278 2.1555-04 24.9999 1.0100 0.0 1.0000 0.0

VAPOR 2.2700 23.5900 2.2700 0.0 0.0 26.3000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 54.4300 1976.7975 0.3752 32.9999 1.0100 1.0000 0.0 0.0

VAPOR 4.0678 23.5385 0.5000 0.2696 2.1360-11 26.2998 1.1913-32 0.0 3.3964-31 2.2146-34 3.2250-32 0.0 8.1993-35 1.0213-30 6.4892-31 54.6759 1895.5620 0.3926 42.6071 1.0000 1.0000 0.0 0.0

LIQUID 41.0068 4.8665-03 7.7402-04 1.0831 1.2358-13 1.1769-04 1.0916-02 5.5139-08 0.4163 9.2892-05 3.5561-02 1.5311-07 4.4784-05 2.2213 1.7692 46.5493 934.1633 2.3400-04 31.2537 1.0000 0.0 1.0000 0.0

-2.8099+08 -1.8051+08 -1.8734+08 -2.7385+08 -1.5435+07 -4.9703+06 -5.4036+06 -1.3646+07 -3.6570+06 -2.7292+06 -2.8452+06 -3.5410+06 6.6357+04 3645.1194 60.3776 1099.1373 18.2043 2.0318+05 5594.4265 4.0294-02 1.4634 36.3181 0.0 0.0 3.8677-02 1.3408 34.6690 7.7057+04 3839.7604 55.2568 1108.9084 20.0682

SUBSTREAM PROPERTIES: *** 14.4320 MISSING MISSING 6.6944

*** LIQUID PHASE PH

A Guide to Using The Aspen OLI Interface

ASPEN Emergency Chlorine Scrubber Flowsheet 3-45

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

4-46 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 DEXH5 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

This the OLI name for diethanolamine.

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-47

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 B3 - FLASH2 Block B6 - HEATER

Block B2 - RADFRAC Block B4 - MIXER

4-48 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 4-49

Dea Make-up Stream (Stream 12)

Tear Stream Guess (Stream 6)

4-50 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

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.

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-51

Dea Absorber RADFRAC (Block B1) pressure

Dea Absorber RADFRAC (Block B1) estimates

4-52 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

Dea Absorber RADFRAC (Block B1) convergence

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-53

Flash Tank FLASH2 (Block B3)

4-54 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 4-55

Dea Stripper RADFRAC (Block B2) pressure

4-56 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

Dea Stripper RADFRAC (Block B2) estimates

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-57

Dea Stripper RADFRAC (Block B2) convergence

4-58 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

Add Make up Water MIXER (Block B4)

Add Make up DEA HEATER (Block B6)

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-59

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

Enter the name for the water flow rate as WATFL.

4-60 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

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 4-61

Click the close button.

4-62 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 4-63

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.

4-64 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

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

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-65

Click on the New button to add the first variable DEXFL

Click OK

4-66 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

Click Close and repeat the steps to add the variable DEXCO

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-67

Finally repeat for the final variable DEXH2 When complete, your define screen should look similar to the following:

4-68 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 4-69

Design-Spec DS-2 spec

Click on the Vary tab.

4-70 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

Design-Spec DS-2 vary

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

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-71

Stream Results
1 10 11 12 2 -----------STREAM ID FROM : TO : SUBSTREAM: MIXED PHASE: COMPONENTS: KMOL/HR H2O C3H8 C4H10 CH4 CO2 DEXH C2H6 H2S H2CO3IN OHDEXCO2DEXH2+ HCO3H+ HSCO3-2 S-2 TOTAL FLOW: KMOL/HR KG/HR L/MIN STATE VARIABLES: TEMP C PRES ATM VFRAC LFRAC SFRAC ENTHALPY: CAL/MOL CAL/GM CAL/SEC ENTROPY: CAL/MOL-K CAL/GM-K DENSITY: MOL/CC GM/CC AVG MW MIXED 1 ---B1 10 B4 B6 11 ---B4 12 ---B6 2 B1 B3

VAPOR 0.0 1.0000 0.5000 92.0000 2.0000 0.0 2.0000 2.0000 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 99.5000 1765.3995 1973.5478 29.9999 20.1000 1.0000 0.0 0.0

LIQUID 49.9999 0.0 0.0 0.0 2.7946-06 11.9473 0.0 6.3866-06 0.0 7.9243-03 1.0001-04 5.6132-02 7.7828-03 1.4286-10 4.3274-03 1.3898-02 4.1008-03 62.0416 2164.5732 22.4926 118.3996 20.1000 0.0 1.0000 0.0

LIQUID 4.3425 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.9559-09 0.0 0.0 0.0 7.9559-09 0.0 0.0 0.0 4.3425 78.2330 1.3072 24.9999 20.1000 0.0 1.0000 0.0

LIQUID 9.0895-10 0.0 0.0 0.0 0.0 9.0773-11 0.0 0.0 0.0 1.3604-13 0.0 1.3604-13 0.0 2.1881-23 0.0 0.0 0.0 1.0000-09 2.5936-08 3.0066-10 24.9999 20.1000 0.0 1.0000 0.0

LIQUID 49.0708 1.5427-04 5.1136-05 2.4377-02 1.5958-03 6.2977 4.4794-04 1.1459-02 0.0 6.9206-05 1.3863 4.3193 0.3622 2.9723-09 1.9664 0.2716 3.0553-02 63.7431 2315.3019 18.8597 74.4951 20.0500 0.0 1.0000 0.0

-1.9312+04 -7.2211+04 -6.8304+04 -7.1412+04 -7.5704+04 -1088.4385 -2069.7305 -3791.4240 -2753.4408 -2084.2396 -5.3376+05 -1.2445+06 -8.2393+04 -1.9837-05 -1.3405+06 39.2889 2.2143 8.4028-04 1.4909-02 17.7427 61.2752 1.7562 4.5972-02 1.6039 34.8890 16.7171 0.9279 5.5367-02 0.9974 18.0154 23.6537 0.9120 5.5434-02 1.4377 25.9355 47.4515 1.3064 5.6331-02 2.0460 36.3223

SUBSTREAM PROPERTIES: *** MISSING 9.9257 6.9928 11.9168 8.6461

*** LIQUID PHASE PH

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A Guide to Using The Aspen OLI Interface

3 4 6 7 8 --------STREAM ID FROM : TO : SUBSTREAM: MIXED PHASE: COMPONENTS: KMOL/HR H2O C3H8 C4H10 CH4 CO2 DEXH C2H6 H2S H2CO3IN OHDEXCO2DEXH2+ HCO3H+ HSCO3-2 S-2 TOTAL FLOW: KMOL/HR KG/HR L/MIN STATE VARIABLES: TEMP C PRES ATM VFRAC LFRAC SFRAC ENTHALPY: CAL/MOL CAL/GM CAL/SEC ENTROPY: CAL/MOL-K CAL/GM-K DENSITY: MOL/CC GM/CC AVG MW MIXED 3 B3 B2 4 B2 B4 6 B6 B1 7 B3 ---8 B1 ----

LIQUID 49.0726 4.7044-06 1.0977-06 1.1233-03 1.5147-03 6.3045 1.8629-05 1.0544-02 0.0 6.9071-05 1.3930 4.3058 0.3558 3.0439-09 1.9599 0.2683 3.0162-02 63.7036 2314.3667 18.9387 74.0245 1.5000 0.0 1.0000 0.0

LIQUID 45.6576 5.7699-29 5.7699-29 1.1167-21 3.3900-06 11.9470 5.7699-29 7.8195-06 0.0 7.6970-03 6.6224-05 5.6530-02 7.8992-03 1.1810-10 3.6159-03 1.3815-02 4.8109-03 57.6990 2086.3401 21.5914 122.2721 1.5000 0.0 1.0000 0.0

LIQUID 50.0180 0.0 0.0 0.0 4.8525-10 11.9451 0.0 4.0407-08 0.0 5.9053-03 1.6094-02 4.2299-02 1.0638-04 2.1864-12 7.8388-03 5.5807-03 5.9639-04 62.0415 2164.5635 18.5628 29.9999 20.1000 0.0 1.0000 0.0

VAPOR 7.8550-03 1.4957-04 5.0039-05 2.3253-02 3.0389-03 2.6327-07 4.2931-04 7.7619-03 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.2539-02 0.9352 13.4128 74.0245 1.5000 1.0000 0.0 0.0

VAPOR 0.3249 0.9998 0.4999 91.9756 1.1187-06 5.5279-05 1.9995 1.8738-05 0.0 3.3735-33 7.3477-33 3.0679-32 2.3069-34 0.0 6.7600-33 5.7317-33 7.5195-34 95.7999 1614.6614 2013.2910 43.5640 20.0000 1.0000 0.0 0.0

-7.5733+04 -7.2505+04 -7.4676+04 -2.7951+04 -1.8047+04 -2084.5677 -2005.1709 -2140.3922 -1271.2448 -1070.7509 -1.3401+06 -1.1621+06 -1.2869+06 -330.2704 -4.8025+05 47.3569 1.3035 5.6061-02 2.0367 36.3302 73.5384 2.0337 4.4538-02 1.6104 36.1589 33.4956 0.9600 5.5704-02 1.9434 34.8889 46.6633 2.1223 5.2858-05 1.1622-03 21.9867 0.0 0.0 7.9306-04 1.3367-02 16.8545

SUBSTREAM PROPERTIES: *** 8.6368 9.9748 11.7076 MISSING MISSING

*** LIQUID PHASE PH

A Guide to Using The Aspen OLI Interface

ASPEN Amine Gas Cleanup Flowsheet 4-73

9 STREAM ID FROM : TO : SUBSTREAM: MIXED PHASE: COMPONENTS: KMOL/HR H2O C3H8 C4H10 CH4 CO2 DEXH C2H6 H2S H2CO3IN OHDEXCO2DEXH2+ HCO3H+ HSCO3-2 S-2 TOTAL FLOW: KMOL/HR KG/HR L/MIN STATE VARIABLES: TEMP C PRES ATM VFRAC LFRAC SFRAC ENTHALPY: CAL/MOL CAL/GM CAL/SEC ENTROPY: CAL/MOL-K CAL/GM-K DENSITY: MOL/CC GM/CC AVG MW MIXED 9 B2 ----

VAPOR 4.0102 2.7685-06 5.4829-07 7.7149-04 1.9969 3.8551-10 1.2360-05 1.9920 0.0 0.0 0.0 1.4507-34 5.2421-35 0.0 9.2746-35 0.0 0.0 8.0000 228.0365 3253.1504 86.2422 1.2000 1.0000 0.0 0.0 -5.3196+04 -1866.2356 -1.1821+05 0.0 0.0 4.0986-05 1.1683-03 28.5045

SUBSTREAM PROPERTIES: *** MISSING

*** LIQUID PHASE PH

4-74 ASPEN Amine Gas Cleanup Flowsheet

A Guide to Using The Aspen OLI Interface

Chapter 5 EFLASH and EFRACH

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)

VAPOR (1) FEEDS . . . HEAT EFLASH Four Outlet Material Streams ORGANIC (3) SOLID (4) HEAT
Figure 5-1 EFLASH diagram

AQUEOUS (2)

Three Outlet Material Streams

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

A Guide to Using The Aspen OLI Interface

EFLASH and EFRACH 5-75

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

5-76 EFLASH and EFRACH

A Guide to Using The Aspen OLI Interface

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.

A Guide to Using The Aspen OLI Interface

EFLASH and EFRACH 5-77

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 Pressure H2O C10H22 N2 NaCl 25 1 100 10 1 20 C ATM kmol/hr kmol/hr kmol/hr 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 Definitions tab.

Fill out the four streams.

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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.

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 Substream:MIXED MoleFlowlbmol/hr H2O C10H22 HCL N2 NACL NAOHW1 NAOH NACLS NAOHS OH H+ NA+ CL TotalFlowlbmol/hr TotalFlowlb/hr TotalFlowcuft/hr TemperatureF Pressurepsia VaporFrac LiquidFrac SolidFrac EnthalpyBtu/lbmol EnthalpyBtu/lb EnthalpyBtu/hr EntropyBtu/lbmolR EntropyBtu/lbR Densitylbmol/cuft Densitylb/cuft AverageMW LiqVol60Fcuft/hr ***LIQUIDPHASE*** PH

1 MIXED 220.4623 22.04623 1.80E12 2.204623 0 0 0 19.66807 0 1.39E07 1.39E07 24.42438 24.42438 313.23 9747.232 1018.273 77 14.69595 7.09E03 0.9301234 0.0627911 1.20E+05 3867.461 3.77E+07 21.65743 0.6959674 0.307609 9.572315 31.11845 6.945542

2 VAPOR 0.0530786 4.00E03 9.96E13 2.162302 0 0 0 0 0 0 0 0 0 2.219382 62.09899 869.6067 77 14.69595 1 0 0 2684.868 95.95564 5958.748 45.90025 1.640449 2.55E03 0.0714104 27.9803 1.882868

3 LIQUID 220.4092 22.04223 8.03E13 0.0423205 0 0 0 0 0 1.39E07 1.39E07 24.42438 24.42438 291.3425 8535.672 140.1569 77 14.69595 0 1 0 1.17E+05 4008.032 3.42E+07 21.46558 0.7326705 2.078688 60.90083 29.29772 6.945544

4 SOLID 0 0 0 0 0 0 0 19.66807 0 0 0 0 0 19.66807 1149.46 8.509561 77 14.69595 0 0 1 1.77E+05 3027.367 3.48E+06 21.76371 0.3723923 2.311291 135.0787 58.44297 11.88138

5 MISSING 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14.69595 0

6 LIQUID 7.97E03 22.04222 0 0.0415593 0 0 0 0 0 0 0 0 0 22.09175 3137.614 68.20093 77 14.69595 0 1 0 1.29E+05 908.7212 2.85E+06 101.8803 0.7173327 0.3239216 46.00545 142.0265 68.63595

7 LIQUID 220.4012 4.80E07 0 7.61E04 0 0 0 0 0 1.39E07 1.39E07 24.42438 24.42438 269.2507 5398.058 71.95598 77 14.69595 0 1 0 1.16E+05 5809.502 3.14E+07 14.90378 0.7433884 3.741882 75.01889 20.04844 6.9455

Input Language

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EFLASH and EFRACH 5-81

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 variables. The valid combinations are: TEMP, PRES DUTY, PRES DUTY, TEMP VFRAC, PRES VFRAC, TEMP PH, PRES PH, TEMP TEMP PRES Constant TP flash Adiabatic flash to calculate TEMP Adiabatic flash to calculate PRES Fixed vapor fraction, calculate TEMP Fixed vapor fraction, calculate PRES Fixed pH, calculate TEMP Fixed pH, calculate PRES

state

- Temperature - Pressure, zero or negative indicates pressure drop

VFRAC - Molar vapor fraction DUTY PH MOLEC - Heat duty - pH of the outlet 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 molecular components)

to

PHASE - No equilibrium calculation, evaluate enthalpy at T,P and phase conditions (V,L,S) PHASE=V - ALL VAPOR PRODUCT PHASE=L - ALL LIQUID PRODUCT PHASE=S - ALL SOLID PRODUCT

Specified

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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)

VAPOR OR LIQUID

HEAT

HEAT

DECANTOR FEEDS 2

3 PRODUCTS

HEAT

HEAT

HEAT

HEAT

Figure 5-2 EFRACH diagram

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Input Language

BLOCK blockid EFRACH

PARAM keyword=value keyword: NSTAGE optional 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

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

MAXIT NINIF

_______________________________________________________________________ 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 vapor portion 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 stage

- Stream ID - Stage number from the top

phase - option entry to specify phase condition of feed. (default is to calculate based on temp and pres)

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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 stage - Stream ID - Stage number from the top

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. stage pres - Stage number from the top - 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. stage - Stage number from the top

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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. stage eff - Stage number from the top - 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 total condenser 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). stage temp - Stage number from the top - Estimated stage temperature

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EFRACH (Continued) _______________________________________________________________________

V-EST A vapor flow rate estimate is required for the distillate rate stage - Stage number from the top

mole-flow - Estimated vapor rate from the stage

L-EST A liquid flow rate estimate may be entered for the reflux rate stage - Stage number from the top

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 species may be selected. STAGE PHASE COMPS value - Stage number from top for spec - Phase for spec V - for vapor, L - for liquid - List of molecular component IDs - 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.

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stage - Stage number from top MOLE-FLOW - Molar flow rate of the pump-around.

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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 EFRACH PARAM 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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