a guide to using the aspen oli interfacesupport.olisystems.com/documents/install guides/oli engine...

OLISYSTEMS,INC.

AGuidetoUsingTheAspenOLIInterface

FeaturingAspenPLUSV7.2

James Berthold

5/12/2011

How to use the OLI Engine in Aspen PLUS.

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

Copyright© 2011 OLI Systems, Inc. All rights reserved. The enclosed materials are provided to the lessees, selected individuals and agents of OLI Systems, Inc. The material may not be duplicated or otherwise provided to any entity without the expressed permission of OLI Systems, Inc.

108 American Road Morris Plains, New Jersey 07950

973-539-4996 (Fax) 973-539-5922

[email protected] www.olisystems.com

This manual was authored by OLI Systems, Inc. The underlying software is the product of over 40 years of effort by the staff of OLI and over $30 MM dollars of financial support from our clients. Disclaimer: This manual was produced using the OLI Engine 8.2 in Aspen PLUS V7.2 .As time progresses, new data and refinements to existing data sets can result in values that you obtain being slightly different than what is presented in this manual. This is a natural progress and cannot be avoided. When large systematic changes to the software occur, this manual will be updated. Aspen PLUS is a registered trademark of Aspen Technologies, Inc. Cambridge, MA.

A Guide to Using The Aspen OLI Interface An Overview of the Aspen OLI Interface 0-3

Contents

Chapter 1 An Overview of the Aspen OLI Interface 5

History ....................................................................................................................................... 5 Advantages of Aspen OLI ......................................................................................................... 5 Disadvantages of Aspen OLI ..................................................................................................... 5 Aspen OLI Interface Layout ...................................................................................................... 6 Aspen OLI Unit Operations ....................................................................................................... 7 Aspen Property Set .................................................................................................................... 8 Using the Aspen OLI Interface ................................................................................................ 11 Potential Problems ................................................................................................................... 12 Added Unit Blocks (OLI) ........................................................................................................ 12

Chapter 2 ASPEN Neutralization Flowsheet 14

A Tour of the OLI-ASPEN Interface ....................................................................................... 14 Generating Chemistry Model .................................................................................... 15 File NEUTRAL.ASP ................................................................................................. 21

Creating the Aspen Flowsheet ................................................................................................. 29

Chapter 3 ASPEN Emergency Chlorine Scrubber Flowsheet 35

A Tour of the OLI-ASPEN Interface (RADFRAC example) .................................................. 35 Generating Chemistry Model .................................................................................... 35

Creating the Aspen Flowsheet ................................................................................................. 36 Create the following flowsheet using the Model Manager ........................................ 36

Chapter 4 ASPEN Amine Gas Cleanup Flowsheet 43

A Tour of the OLI-ASPEN Interface ....................................................................................... 43 Generating Chemistry Model .................................................................................... 44

Creating the Aspen Flowsheet ................................................................................................. 45 Create the following flowsheet using the Model Manager ........................................ 45

Chapter 5 EFLASH and EFRACH (FraChem) 73

Overview ................................................................................................................................. 73 EFLASH (Electrolyte Flash) .................................................................................................. 73

Example ..................................................................................................................... 74 Input Language .......................................................................................................... 79 BLOCK blockid EFLASH ........................................................................................ 80

EFRACH (Electrolyte Distillation, Frachem) ......................................................................... 83 Example: Chlorine Scrubber ..................................................................................... 84 Design Spec… ........................................................................................................... 87 EFRACH Results ...................................................................................................... 90


Chapter 1 An Overview of the Aspen OLI Interface

History • Dupont 25 year history using OLI electrolytes program.

• 1995 switched to Aspen as their process simulator.

• Wanted the capability to use OLI electrolytes from ASPEN.

• In 1996 Aspen V-8.2 was interfaced (no Model Manager)

• In 1997 Aspen V-9.x with Model Manager.

• Currently interfacing with Aspen PLUS V7 (2008)

Advantages of Aspen OLI • User Interface

• Learn one flowsheeting system

• Multiple Property Options in same flowsheet

• Well established Non-electrolyte capability

• Sizing

• Costing

• Two Software Venders

Disadvantages of Aspen OLI

• No Corrosion

• No Bio-reactors


• 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


Aspen OLI Unit Operations

•MIXERS

•FSPLIT

•SEP

•SEP2

•HEATER

•FLASH2

•FLASH3

•HEATX

•MHEATX

•RADFRAC

•RSTOIC

•RYIELD

•RCSTR

•RPLUG

•PUMP

•COMPR


Aspen Property Set

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


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 PHILO1 HV HV00 HL HL00 GV GV00 GL GL00 SV SV00 SL SL00 VV VV00 VL VL01 MUV MUV01 MUL MUL01 KV KV01 KL KL01 DV DV01 DL DL01 SIGL SIGL01 HSMX HSMXO1 PHIL PHIL00


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 DLMX SIGLMX 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


Using the Aspen OLI Interface • New property option in ASPEN named OLI:

PROPERTIES OLI CHEMISTRY=xxxxx TRUE-COMPS=YES

• The following ASPEN paragraphs are created when the chemistry model is generated:

DATABANKS PROP-DATA

COMPONENTS PROPERTIES

CHEMISTRY PROP-SET pH

• ASPEN user is then required to add the additional paragraphs to run the simulation

such as:

FLOWSHEET

STREAMS

BLOCKS

ESP-NAME DB 8-CHAR ASP-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+


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.


Executes the standard Aspen run command to run the simulation.

Figure 1-3 EFLASH unit operation

Figure 1-4 EFRACH Block

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

Chapter 2 ASPEN Neutralization Flowsheet

A Tour of the OLI-ASPEN Interface

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

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

Generating Chemistry Model

There are two methods to create an OLI chemistry model to be used with Aspen PLUS. These are the Chemistry Wizard and the OLI 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 | OLI Systems | OLI Engine in Aspen Plus V7.2 | Chemistry Wizard The Chemistry Wizard information dialog is now displayed. You can enter the name of the model and change the location where the model files will be located. Here we will enter the name Neutral1for the model name and change the location of the files.

Figure 2-1 Specifying the model name and location

Click the Next> button to continue

1 The OLI Engine chemistry generator is supplied with the OLI Alliance Suite for Aspen PLUS and is very similar to the chemistry generator used for ESP. This will be shown in Chapter 6.


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

Figure 2-2 Adding components

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


Figure 2-3 Select Components

We now need to add our components of ammonia (NH3), carbon dioxide (CO2), sulfur dioxide (SO2), hydrochloric acid (HCL), sulfuric acid (H2SO4) and sodium hydroxide (NAOH). We can scroll through the list or enter the component ID and let the software find the component. We will try the latter technique, enter the component ID NH3

Figure 2-4 Adding NH3, ammonia

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


Figure 2-5 the added components

Click the Next> button.

Figure 2-6 adding redox

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


Figure 2-7 Selecting phases, including solids

On this screen we can enable vapor and second liquid (non-aqueous) phases. By default the vapor phase is enabled and the second liquid phase is disabled. We can also turn off all potential solid phases or select individual solids to exclude. Occasionally the user will have prior knowledge of which solid phases will be present. Eliminating solids that are not possible can dramatically increase the execution speed of the program. Click Next> to continue.

Figure 2-8 Aspen Alias names

Many times OLI will have a component that Aspen PLUS will not. For those cases an alias name has to be provided to allow the two programs to properly communicate. Click the Next> button.


Figure 2-9 BKP file options

OLI initially communicates to Aspen PLUS via the BKP file. We will shortly create a flowsheet without any unit operations. The BKP file will initially have the same name as the chemistry model but you may change the name if you wish. A second option is to allow the solid salts to precipitate. This is the default option. Alternatively you can dramatically increase the speed of execution by setting the salts to be dissociated. It is recommended for OLI models that you accept the default choices. Click the Next> button.

Figure 2-10 Almost done

We are almost done with the chemistry model generation. This is the summary screen of what we have selected. Please review it to make sure you have made the choices you require. Click the Generate Files Now button. If the model was successfully generated you will receive this message:


Figure 2-11 completed

Click the OK button.

Figure 2-12 Done

We are now done with the chemistry model generation. Notice that the Generate Files Now button and the Next> button are gray. Click the Finish button. We create a BKP file and an ASP file. We will use the BKP file in a moment. The ASP file is the old Aspen INP file. We have renamed the file from INP to ASP since OLI also uses a file with extension INP.2 Here is the contents of the file. It can be renamed to INP to be used with the Aspen PLUS Simulation Engine.

File NEUTRAL.ASP TITLE " " ; DESCRIPTION " " ; RUN-CONTROL MAX-TIME=36000 ;

2 The INP file is used with OLI’s ProChem software.


HISTORY MSG-LEVEL SIM-LEVEL=4 STREAM-LEVEL=4 ; IN-UNITS ENG OUT-UNITS ENG ; DATABANKS ASPENPCD / AQUEOUS / SOLIDS / INORGANIC / PURE12 ; COMPONENTS H2O H2O / CO2 CO2 / H2SO4 H2SO4 / HCL HCL / NH3 H3N / SO2 O2S / SO3 O3S / NAHCO3 NAHCO3 / H2CO3IN H2CO3 / H2SO3IN H2SO3 / HNH2CO2 / NA2CO3 NA2CO3 / NACO3W10 "NA2CO3.10H2O" / NACO3W1 "NA2CO3.H2O" / NACO3W7 "NA2CO3.7H2O" / NA2O / NA2SO3 / NA2SO3W7 / NA2SO4 NA2SO4 / NA2STW10 / NA2SOM / NA3HCO32 / NA3HSO42 / NA3OHSO4 / NA5H3C34 / NASCO3 / NA8OHO43 / NACL NACL / NAHSO3IN / NAHSO4 / NANH2CO2 / NANH4SO4 / NANH4SW4 / NAOHW1 / NH42CO3 / NH4SO3 "(NH4)2SO3" / NH42SUW1 / NH4SO4 "(NH4)2SO4" / NH43HSO4 / NH44H2 / NH4CL NH4CL / NH4CLB / NH4CO2NH / NH4H3S42 / NH4HCO / NH5SO3 NH5SO3 / NH4HSO / NH4OHIN NH4OH / NAOH NAOH / TRONA / WEGSCH / NA2CO3-S NA2CO3 / NA2SO3-S / NA2SOM-S / NA2SO4-S NA2SO4 / NA3SO4-S / NASCO3-S / NACL-S NACL / NAHCO3-S NAHCO3 / NAHSO4-S / NAOH-S NAOH / NH4SO3-S "(NH4)2SO3" / NH4SO4-S "(NH4)2SO4" / NH44H2-S / NH4CL-S NH4CL / NH4HCO-S / NH5SO3-S NH5SO3 / TRONA-S / WEGSCH-S / OH- OH- / CO3-2 CO3-2 / HCO3- HCO3- / H+ H+ / HSO3- HSO3- / HSO4- HSO4- / NACO3- NACO3- / NA+ NA+ / NASO4- NASO4- / NH2CO2- NH2COO- / NH4+ NH4+ / NH4SO4- / CL- CL- / S2O5-2 / SO3-2 SO3-2 / SO4-2 SO4-2 ; CHEMISTRY NEUTRAL1 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 SALT NACO3W10 NA+ 2/CO3-2 1/H2O 10 SALT NACO3W1 NA+ 2/CO3-2 1/H2O 1 SALT NACO3W7 NA+ 2/CO3-2 1/H2O 7 SALT NA2CO3-S NA+ 2/CO3-2 1 SALT NA2SO3W7 NA+ 2/SO3-2 1/H2O 7 SALT NA2SO3-S NA+ 2/SO3-2 1 SALT NA2STW10 NA+ 2/SO4-2 1/H2O 10 SALT NA2SOM-S NA+ 2/SO4-2 1 SALT NA2SO4-S NA+ 2/SO4-2 1 SALT NA3SO4-S NA+ 3/HSO4- 1/SO4-2 1 SALT NASCO3-S NA+ 6/SO4-2 2/CO3-2 1 SALT NACL-S NA+ 1/CL- 1 SALT NAHCO3-S NA+ 1/HCO3- 1 SALT NAHSO4-S NA+ 1/HSO4- 1 SALT NANH4SW4 NA+ 2/NH4+ 2/SO4-2 2/H2O 4 SALT NAOHW1 NA+ 1/OH- 1/H2O 1 SALT NAOH-S NA+ 1/OH- 1 SALT NH42SUW1 NH4+ 2/SO3-2 1/H2O 1 SALT NH4SO3-S NH4+ 2/SO3-2 1 SALT NH4SO4-S NH4+ 2/SO4-2 1 SALT NH44H2-S NH4+ 4/HCO3- 2/CO3-2 1 SALT NH4CL-S NH4+ 1/CL- 1 SALT NH4HCO-S NH4+ 1/HCO3- 1


SALT NH5SO3-S NH4+ 1/HSO3- 1 SALT TRONA-S NA+ 3/CO3-2 1/HCO3- 1/H2O 2 SALT WEGSCH-S NA+ 5/HCO3- 3/CO3-2 1 DISS H2CO3IN CO3-2 1/H+ 2 DISS H2SO3IN H+ 2/SO3-2 1 DISS HNH2CO2 OH- -1/CO3-2 1/NH4+ 1 DISS NA2O OH- 1/H+ -1/NA+ 2 DISS NA3HCO32 CO3-2 2/H+ 1/NA+ 3 DISS NA3OHSO4 OH- 1/NA+ 3/SO4-2 1 DISS NA5H3C34 CO3-2 4/H+ 3/NA+ 5 DISS NA8OHO43 OH- 2/NA+ 8/SO4-2 3 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 NH43HSO4 H+ 1/NH4+ 3/SO4-2 2 DISS NH4CLB NH4+ 1/CL- 1 DISS NH4CO2NH OH- -1/CO3-2 1/H+ -1/NH4+ 2 DISS NH4H3S42 H+ 3/NH4+ 1/SO4-2 2 DISS NH4HSO H+ 1/NH4+ 1/SO4-2 1 DISS NH4OHIN OH- 1/NH4+ 1 K-STOIC 1 274.3143 -13853.97 -42.55512 -9.35911E-12 K-STOIC 2 187.8923 -10927.02 -30.71968 4.74310E-12 K-STOIC 3 231.4342 -10086.37 -37.59432 -3.33801E-11 K-STOIC 4 222.0421 -7989.432 -35.06795 -1.59179E-11 K-STOIC 5 146.5037 -8492.473 -20.93559 -4.65045E-14 K-STOIC 6 9.496595 -2941.239 -5.45607E-09 6.82355E-12 K-STOIC 7 202.2876 -9375.568 -30.35734 -5.67642E-12 K-STOIC 8 0.8723622 -2152.36 0.9828223 5.15601E-12 K-STOIC 9 169.0995 -8416.237 -26.64672 -1.49655E-11 K-STOIC 10 -6.386932 -716.4902 7.038603 -0.02462777 K-STOIC 11 172.2233 -7652.021 -26.17011 -5.46185E-12 K-STOIC 12 375.4849 -16206.57 -60.24001 -4.04857E-11 K-STOIC 13 14.59764 -1754.149 1.22817E-08 -0.04358174 K-STOIC 14 161.486 -14337.67 -25.55966 2.23432E-14 K-STOIC 15 214.1457 -8208.519 -31.18261 -7.80728E-12 K-STOIC 16 1221.599 -30089.27 -209.9925 0.3022668 K-SALT NACO3W10 -61.22225 3261.021 1.15862E-04 0.1637591 K-SALT NACO3W1 -709.1989 18797.21 124.5005 -0.2127858 K-SALT NACO3W7 8.131359 -4961.292 1.458021 -0.002375326 K-SALT NA2CO3-S -2161.618 71492.15 363.3245 -0.4887474 K-SALT NA2SO3W7 -776.1642 13695.16 141.7353 -0.2632824 K-SALT NA2SO3-S 765.3626 -15571.38 -138.3232 0.2548016 K-SALT NA2STW10 30.22702 -9926.851 0.001329232 -2.29933E-06 K-SALT NA2SOM-S 156.5277 -34875.86 9.04799E-04 -0.1845807 K-SALT NA2SO4-S -912.7236 26476.6 157.5281 -0.2495654 K-SALT NA3SO4-S -37293.68 996518 6511.091 -10.5354 K-SALT NASCO3-S -461.773 10214.57 85.75829 -0.2180109 K-SALT NACL-S -101.3443 3583.864 17.4019 -0.02074943 K-SALT NAHCO3-S 260.1416 -11640.1 -40.88692 0.03532156 K-SALT NAHSO4-S 52.37313 -2355.314 -6.774172 8.95467E-13 K-SALT NANH4SW4 -0.886898 -3224.782 -4.41571E-07 0.02315949 K-SALT NAOHW1 3.850949 2152.804 2.98302E-05 -4.81540E-08 K-SALT NAOH-S 12.17461 3787.083 -0.5454263 -0.01977132 K-SALT NH42SUW1 -1155.201 32005.55 198.7862 -0.2933742 K-SALT NH4SO3-S -76.17598 -42.57169 -0.232931 0.2121564 K-SALT NH4SO4-S -8.698808 -883.496 2.846654 -0.01602627 K-SALT NH44H2-S 341.1594 -21067.79 -47.89213 2.99655E-12 K-SALT NH4CL-S -239.2419 5199.632 42.61082 -0.06071688 K-SALT NH4HCO-S 83.78743 -6132.587 -11.1312 3.45985E-12 K-SALT NH5SO3-S 50.66551 -2822.077 -5.616502 3.07836E-12 K-SALT TRONA-S -3258.975 89420.91 564.0297 -0.8646413 K-SALT WEGSCH-S -1050.381 25798.41 184.4099 -0.3028805 ; PROP-DATA NEUTRAL1 PROP-LIST ATOMNO / NOATOM PVAL H2O 1 8 / 2. 1. PVAL CO2 6 8 / 1. 2. PVAL H2SO4 1 8 16 / 2. 4. 1. PVAL HCL 17 1 / 1. 1. PVAL NH3 1 7 / 3. 1.


PVAL SO2 8 16 / 2. 1. PVAL SO3 8 16 / 3. 1. PVAL NAHCO3 6 1 11 8 / 1. 1. 1. 3. PVAL H2CO3IN 6 1 8 / 1. 2. 3. PVAL H2SO3IN 1 8 16 / 2. 3. 1. PVAL HNH2CO2 6 1 7 8 / 1. 3. 1. 2. PVAL NA2CO3 6 11 8 / 1. 2. 3. PVAL NACO3W10 6 1 11 8 / 1. 20. 2. 13. PVAL NACO3W1 6 1 11 8 / 1. 2. 2. 4. PVAL NACO3W7 6 1 11 8 / 1. 14. 2. 10. PVAL NA2O 11 8 / 2. 1. PVAL NA2SO3 11 8 16 / 2. 3. 1. PVAL NA2SO3W7 1 11 8 16 / 14. 2. 10. 1. PVAL NA2SO4 11 8 16 / 2. 4. 1. PVAL NA2STW10 1 11 8 16 / 20. 2. 14. 1. PVAL NA2SOM 11 8 16 / 2. 4. 1. PVAL NA3HCO32 6 1 11 8 / 2. 1. 3. 6. PVAL NA3HSO42 1 11 8 16 / 1. 3. 8. 2. PVAL NA3OHSO4 1 11 8 16 / 1. 3. 5. 1. PVAL NA5H3C34 6 1 11 8 / 4. 3. 5. 12. PVAL NASCO3 6 11 8 16 / 1. 6. 11. 2. PVAL NA8OHO43 1 11 8 16 / 2. 8. 14. 3. PVAL NACL 17 11 / 1. 1. PVAL NAHSO3IN 1 11 8 16 / 1. 1. 3. 1. PVAL NAHSO4 1 11 8 16 / 1. 1. 4. 1. PVAL NANH2CO2 6 1 7 11 8 / 1. 2. 1. 1. 2. PVAL NANH4SO4 1 7 11 8 16 / 8. 2. 2. 8. 2. PVAL NANH4SW4 1 7 11 8 16 / 16. 2. 2. 12. 2. PVAL NAOHW1 1 11 8 / 3. 1. 2. PVAL NH42CO3 6 1 7 8 / 1. 8. 2. 3. PVAL NH4SO3 1 7 8 16 / 8. 2. 3. 1. PVAL NH42SUW1 1 7 8 16 / 10. 2. 4. 1. PVAL NH4SO4 1 7 8 16 / 8. 2. 4. 1. PVAL NH43HSO4 1 7 8 16 / 13. 3. 8. 2. PVAL NH44H2 6 1 7 8 / 3. 18. 4. 9. PVAL NH4CL 17 1 7 / 1. 4. 1. PVAL NH4CLB 17 1 7 / 1. 4. 1. PVAL NH4CO2NH 6 1 7 8 / 1. 6. 2. 2. PVAL NH4H3S42 1 7 8 16 / 7. 1. 8. 2. PVAL NH4HCO 6 1 7 8 / 1. 5. 1. 3. PVAL NH5SO3 1 7 8 16 / 5. 1. 3. 1. PVAL NH4HSO 1 7 8 16 / 5. 1. 4. 1. PVAL NH4OHIN 1 7 8 / 5. 1. 1. PVAL NAOH 1 11 8 / 1. 1. 1. PVAL TRONA 6 1 11 8 / 2. 5. 3. 8. PVAL WEGSCH 6 1 11 8 / 4. 3. 5. 12. PVAL NA2CO3-S 6 11 8 / 1. 2. 3. PVAL NA2SO3-S 11 8 16 / 2. 3. 1. PVAL NA2SOM-S 11 8 16 / 2. 4. 1. PVAL NA2SO4-S 11 8 16 / 2. 4. 1. PVAL NA3SO4-S 1 11 8 16 / 1. 3. 8. 2. PVAL NASCO3-S 6 11 8 16 / 1. 6. 11. 2. PVAL NACL-S 17 11 / 1. 1. PVAL NAHCO3-S 6 1 11 8 / 1. 1. 1. 3. PVAL NAHSO4-S 1 11 8 16 / 1. 1. 4. 1. PVAL NAOH-S 1 11 8 / 1. 1. 1. PVAL NH4SO3-S 1 7 8 16 / 8. 2. 3. 1. PVAL NH4SO4-S 1 7 8 16 / 8. 2. 4. 1. PVAL NH44H2-S 6 1 7 8 / 3. 18. 4. 9. PVAL NH4CL-S 17 1 7 / 1. 4. 1. PVAL NH4HCO-S 6 1 7 8 / 1. 5. 1. 3. PVAL NH5SO3-S 1 7 8 16 / 5. 1. 3. 1. PVAL TRONA-S 6 1 11 8 / 2. 5. 3. 8. PVAL WEGSCH-S 6 1 11 8 / 4. 3. 5. 12. PVAL OH- 1 8 / 1. 1. PVAL CO3-2 6 8 / 1. 3. PVAL HCO3- 6 1 8 / 1. 1. 3. PVAL H+ 1 / 1. PVAL HSO3- 1 8 16 / 1. 3. 1. PVAL HSO4- 1 8 16 / 1. 4. 1. PVAL NACO3- 6 11 8 / 1. 1. 3.


PVAL NA+ 11 / 1. PVAL NASO4- 11 8 16 / 1. 4. 1. PVAL NH2CO2- 6 1 7 8 / 1. 2. 1. 2. PVAL NH4+ 1 7 / 4. 1. PVAL NH4SO4- 1 7 8 16 / 4. 1. 4. 1. PVAL CL- 17 / 1. PVAL S2O5-2 8 16 / 5. 2. PVAL SO3-2 8 16 / 3. 1. PVAL SO4-2 8 16 / 4. 1. PROP-LIST MW / CHARGE PVAL H2O 18.01534 / 0.00 PVAL CO2 44.00990 / 0.00 PVAL H2SO4 98.07954 / 0.00 PVAL HCL 36.46097 / 0.00 PVAL NH3 17.03061 / 0.00 PVAL SO2 64.06480 / 0.00 PVAL SO3 80.06420 / 0.00 PVAL NAHCO3 84.00724 / 0.00 PVAL H2CO3IN 62.0252 / 0.00 PVAL H2SO3IN 82.0801 / 0.00 PVAL HNH2CO2 61.0405 / 0.00 PVAL NA2CO3 105.9892 / 0.00 PVAL NACO3W10 286.1426 / 0.00 PVAL NACO3W1 124.0046 / 0.00 PVAL NACO3W7 232.0966 / 0.00 PVAL NA2O 61.9793 / 0.00 PVAL NA2SO3 126.0441 / 0.00 PVAL NA2SO3W7 252.1515 / 0.00 PVAL NA2SO4 142.0435 / 0.00 PVAL NA2STW10 322.1969 / 0.00 PVAL NA2SOM 142.0435 / 0.00 PVAL NA3HCO32 189.9965 / 0.00 PVAL NA3HSO42 262.1051 / 0.00 PVAL NA3OHSO4 182.0409 / 0.00 PVAL NA5H3C34 358.0110 / 0.00 PVAL NASCO3 390.0763 / 0.00 PVAL NA8OHO43 506.1253 / 0.00 PVAL NACL 58.4430 / 0.00 PVAL NAHSO3IN 104.0621 / 0.00 PVAL NAHSO4 120.0615 / 0.00 PVAL NANH2CO2 83.0225 / 0.00 PVAL NANH4SO4 274.1843 / 0.00 PVAL NANH4SW4 346.2457 / 0.00 PVAL NAOHW1 58.0127 / 0.00 PVAL NH42CO3 96.0865 / 0.00 PVAL NH4SO3 116.1414 / 0.00 PVAL NH42SUW1 134.1567 / 0.00 PVAL NH4SO4 132.1408 / 0.00 PVAL NH43HSO4 247.2509 / 0.00 PVAL NH44H2 254.1982 / 0.00 PVAL NH4CL 53.4916 / 0.00 PVAL NH4CLB 53.4916 / 0.00 PVAL NH4CO2NH 78.0711 / 0.00 PVAL NH4H3S42 213.1897 / 0.00 PVAL NH4HCO 79.0559 / 0.00 PVAL NH5SO3 99.1107 / 0.00 PVAL NH4HSO 115.1102 / 0.00 PVAL NH4OHIN 35.0459 / 0.00 PVAL NAOH 39.9973 / 0.00 PVAL TRONA 226.0272 / 0.00 PVAL WEGSCH 358.0110 / 0.00 PVAL NA2CO3-S 105.98920 / 0.00 PVAL NA2SO3-S 126.04410 / 0.00 PVAL NA2SOM-S 142.04350 / 0.00 PVAL NA2SO4-S 142.04350 / 0.00 PVAL NA3SO4-S 262.10510 / 0.00 PVAL NASCO3-S 390.07630 / 0.00 PVAL NACL-S 58.44297 / 0.00 PVAL NAHCO3-S 84.00724 / 0.00 PVAL NAHSO4-S 120.06150 / 0.00 PVAL NAOH-S 39.99734 / 0.00


PVAL NH4SO3-S 116.14140 / 0.00 PVAL NH4SO4-S 132.14080 / 0.00 PVAL NH44H2-S 254.19820 / 0.00 PVAL NH4CL-S 53.49158 / 0.00 PVAL NH4HCO-S 79.05585 / 0.00 PVAL NH5SO3-S 99.11075 / 0.00 PVAL TRONA-S 226.02720 / 0.00 PVAL WEGSCH-S 358.01100 / 0.00 PVAL OH- 17.00737 / -1.00 PVAL CO3-2 60.00930 / -2.00 PVAL HCO3- 61.01727 / -1.00 PVAL H+ 1.00797 / 1.00 PVAL HSO3- 81.07217 / -1.00 PVAL HSO4- 97.07157 / -1.00 PVAL NACO3- 82.99927 / -1.00 PVAL NA+ 22.98997 / 1.00 PVAL NASO4- 119.05360 / -1.00 PVAL NH2CO2- 60.03254 / -1.00 PVAL NH4+ 18.03858 / 1.00 PVAL NH4SO4- 114.10220 / -1.00 PVAL CL- 35.45300 / -1.00 PVAL S2O5-2 144.12900 / -2.00 PVAL SO3-2 80.06420 / -2.00 PVAL SO4-2 96.06360 / -2.00 PROP-LIST DHFORM / DHAQFM / VLSTD IN-UNITS SI PVAL CO2 -0.39351E+09 / 0.0000 / 0.00535 PVAL H2SO4 -0.73273E+09 / 0.0000 / 0.00535 PVAL HCL -0.92310E+08 / 0.0000 / 0.00535 PVAL NH3 -0.46110E+08 / 0.0000 / 0.00535 PVAL SO2 -0.29691E+09 / 0.0000 / 0.00535 PVAL SO3 -0.39590E+09 / 0.0000 / 0.00535 PVAL NAHCO3 0.0000 / -0.95469E+09 / 0.00535 PVAL H2CO3IN 0.0000 / 0.0000 / 0.00535 PVAL H2SO3IN 0.0000 / 0.0000 / 0.00535 PVAL HNH2CO2 0.0000 / 0.0000 / 0.00535 PVAL NA2CO3 0.0000 / 0.0000 / 0.00535 PVAL NACO3W10 0.0000 / 0.0000 / 0.00535 PVAL NACO3W1 0.0000 / 0.0000 / 0.00535 PVAL NACO3W7 0.0000 / 0.0000 / 0.00535 PVAL NA2O 0.0000 / 0.0000 / 0.00535 PVAL NA2SO3 0.0000 / 0.0000 / 0.00535 PVAL NA2SO3W7 0.0000 / 0.0000 / 0.00535 PVAL NA2SO4 0.0000 / 0.0000 / 0.00535 PVAL NA2STW10 0.0000 / 0.0000 / 0.00535 PVAL NA2SOM 0.0000 / 0.0000 / 0.00535 PVAL NA3HCO32 0.0000 / 0.0000 / 0.00535 PVAL NA3HSO42 0.0000 / 0.0000 / 0.00535 PVAL NA3OHSO4 0.0000 / 0.0000 / 0.00535 PVAL NA5H3C34 0.0000 / 0.0000 / 0.00535 PVAL NASCO3 0.0000 / 0.0000 / 0.00535 PVAL NA8OHO43 0.0000 / 0.0000 / 0.00535 PVAL NACL 0.0000 / 0.0000 / 0.00535 PVAL NAHSO3IN 0.0000 / 0.0000 / 0.00535 PVAL NAHSO4 0.0000 / 0.0000 / 0.00535 PVAL NANH2CO2 0.0000 / 0.0000 / 0.00535 PVAL NANH4SO4 0.0000 / 0.0000 / 0.00535 PVAL NANH4SW4 0.0000 / 0.0000 / 0.00535 PVAL NAOHW1 0.0000 / 0.0000 / 0.00535 PVAL NH42CO3 0.0000 / 0.0000 / 0.00535 PVAL NH4SO3 0.0000 / 0.0000 / 0.00535 PVAL NH42SUW1 0.0000 / 0.0000 / 0.00535 PVAL NH4SO4 0.0000 / 0.0000 / 0.00535 PVAL NH43HSO4 0.0000 / 0.0000 / 0.00535 PVAL NH44H2 0.0000 / 0.0000 / 0.00535 PVAL NH4CL 0.0000 / 0.0000 / 0.00535 PVAL NH4CLB 0.0000 / 0.0000 / 0.00535 PVAL NH4CO2NH 0.0000 / 0.0000 / 0.00535 PVAL NH4H3S42 0.0000 / 0.0000 / 0.00535 PVAL NH4HCO 0.0000 / 0.0000 / 0.00535 PVAL NH5SO3 0.0000 / 0.0000 / 0.00535


PVAL NH4HSO 0.0000 / 0.0000 / 0.00535 PVAL NH4OHIN 0.0000 / 0.0000 / 0.00535 PVAL NAOH 0.0000 / 0.0000 / 0.00535 PVAL TRONA 0.0000 / 0.0000 / 0.00535 PVAL WEGSCH 0.0000 / 0.0000 / 0.00535 PVAL NA2CO3-S 0.0000 / 0.0000 / 0.00535 PVAL NA2SO3-S 0.0000 / 0.0000 / 0.00535 PVAL NA2SOM-S 0.0000 / 0.0000 / 0.00535 PVAL NA2SO4-S 0.0000 / 0.0000 / 0.00535 PVAL NA3SO4-S 0.0000 / 0.0000 / 0.00535 PVAL NASCO3-S 0.0000 / 0.0000 / 0.00535 PVAL NACL-S 0.0000 / 0.0000 / 0.00535 PVAL NAHCO3-S 0.0000 / 0.0000 / 0.00535 PVAL NAHSO4-S 0.0000 / 0.0000 / 0.00535 PVAL NAOH-S 0.0000 / 0.0000 / 0.00535 PVAL NH4SO3-S 0.0000 / 0.0000 / 0.00535 PVAL NH4SO4-S 0.0000 / 0.0000 / 0.00535 PVAL NH44H2-S 0.0000 / 0.0000 / 0.00535 PVAL NH4CL-S 0.0000 / 0.0000 / 0.00535 PVAL NH4HCO-S 0.0000 / 0.0000 / 0.00535 PVAL NH5SO3-S 0.0000 / 0.0000 / 0.00535 PVAL TRONA-S 0.0000 / 0.0000 / 0.00535 PVAL WEGSCH-S 0.0000 / 0.0000 / 0.00535 PVAL OH- 0.0000 / -0.22999E+09 / 0.00535 PVAL CO3-2 0.0000 / -0.67523E+09 / 0.00535 PVAL HCO3- 0.0000 / -0.68993E+09 / 0.00535 PVAL H+ 0.0000 / 0.0000 / 0.00535 PVAL HSO3- 0.0000 / -0.62622E+09 / 0.00535 PVAL HSO4- 0.0000 / -0.88910E+09 / 0.00535 PVAL NACO3- 0.0000 / -0.93424E+09 / 0.00535 PVAL NA+ 0.0000 / -0.24030E+09 / 0.00535 PVAL NASO4- 0.0000 / -0.11526E+10 / 0.00535 PVAL NH2CO2- 0.0000 / -0.50577E+09 / 0.00535 PVAL NH4+ 0.0000 / -0.13326E+09 / 0.00535 PVAL NH4SO4- 0.0000 / -0.10416E+10 / 0.00535 PVAL CL- 0.0000 / -0.16708E+09 / 0.00535 PVAL S2O5-2 0.0000 / -0.97069E+09 / 0.00535 PVAL SO3-2 0.0000 / -0.63555E+09 / 0.00535 PVAL SO4-2 0.0000 / -0.90960E+09 / 0.00535 PROP-LIST PLXANT IN-UNITS SI PVAL HNH2CO2 -1.D+20 PVAL NA2O -1.D+20 PVAL NA2SO3 -1.D+20 PVAL NA2SO3W7 -1.D+20 PVAL NA2STW10 -1.D+20 PVAL NA2SOM -1.D+20 PVAL NA3HCO32 -1.D+20 PVAL NA3HSO42 -1.D+20 PVAL NA3OHSO4 -1.D+20 PVAL NA5H3C34 -1.D+20 PVAL NASCO3 -1.D+20 PVAL NA8OHO43 -1.D+20 PVAL NAHSO3IN -1.D+20 PVAL NAHSO4 -1.D+20 PVAL NANH2CO2 -1.D+20 PVAL NANH4SO4 -1.D+20 PVAL NANH4SW4 -1.D+20 PVAL NAOHW1 -1.D+20 PVAL NH42CO3 -1.D+20 PVAL NH42SUW1 -1.D+20 PVAL NH43HSO4 -1.D+20 PVAL NH44H2 -1.D+20 PVAL NH4CLB -1.D+20 PVAL NH4CO2NH -1.D+20 PVAL NH4H3S42 -1.D+20 PVAL NH4HCO -1.D+20 PVAL NH4HSO -1.D+20 PVAL TRONA -1.D+20 PVAL WEGSCH -1.D+20 PVAL NA2SO3-S -1.D+20


PVAL NA2SOM-S -1.D+20 PVAL NA3SO4-S -1.D+20 PVAL NASCO3-S -1.D+20 PVAL NAHSO4-S -1.D+20 PVAL NH44H2-S -1.D+20 PVAL NH4HCO-S -1.D+20 PVAL TRONA-S -1.D+20 PVAL WEGSCH-S -1.D+20 PVAL OH- -1.D+20 PVAL CO3-2 -1.D+20 PVAL HCO3- -1.D+20 PVAL H+ -1.D+20 PVAL HSO3- -1.D+20 PVAL HSO4- -1.D+20 PVAL NACO3- -1.D+20 PVAL NA+ -1.D+20 PVAL NASO4- -1.D+20 PVAL NH2CO2- -1.D+20 PVAL NH4+ -1.D+20 PVAL NH4SO4- -1.D+20 PVAL CL- -1.D+20 PVAL S2O5-2 -1.D+20 PVAL SO3-2 -1.D+20 PVAL SO4-2 -1.D+20 PROP-LIST CPIG IN-UNITS SI PVAL HNH2CO2 20785.0 PVAL NA2O 20785.0 PVAL NA2SO3 20785.0 PVAL NA2SO3W7 20785.0 PVAL NA2STW10 20785.0 PVAL NA2SOM 20785.0 PVAL NA3HCO32 20785.0 PVAL NA3HSO42 20785.0 PVAL NA3OHSO4 20785.0 PVAL NA5H3C34 20785.0 PVAL NASCO3 20785.0 PVAL NA8OHO43 20785.0 PVAL NAHSO3IN 20785.0 PVAL NAHSO4 20785.0 PVAL NANH2CO2 20785.0 PVAL NANH4SO4 20785.0 PVAL NANH4SW4 20785.0 PVAL NAOHW1 20785.0 PVAL NH42CO3 20785.0 PVAL NH42SUW1 20785.0 PVAL NH43HSO4 20785.0 PVAL NH44H2 20785.0 PVAL NH4CLB 20785.0 PVAL NH4CO2NH 20785.0 PVAL NH4H3S42 20785.0 PVAL NH4HCO 20785.0 PVAL NH4HSO 20785.0 PVAL TRONA 20785.0 PVAL WEGSCH 20785.0 PVAL NA2SO3-S 20785.0 PVAL NA2SOM-S 20785.0 PVAL NA3SO4-S 20785.0 PVAL NASCO3-S 20785.0 PVAL NAHSO4-S 20785.0 PVAL NH44H2-S 20785.0 PVAL NH4HCO-S 20785.0 PVAL TRONA-S 20785.0 PVAL WEGSCH-S 20785.0 PVAL OH- 20785.0 PVAL CO3-2 20785.0 PVAL HCO3- 20785.0 PVAL H+ 20785.0 PVAL HSO3- 20785.0 PVAL HSO4- 20785.0 PVAL NACO3- 20785.0


PVAL NA+ 20785.0 PVAL NASO4- 20785.0 PVAL NH2CO2- 20785.0 PVAL NH4+ 20785.0 PVAL NH4SO4- 20785.0 PVAL CL- 20785.0 PVAL S2O5-2 20785.0 PVAL SO3-2 20785.0 PVAL SO4-2 20785.0 ; PROP-SET PH PH SUBSTREAM=MIXED PHASE=L STREAM-REPOR PROPERTIES=PH ; ; PROPERTIES OLI CHEMISTRY=NEUTRAL1 TRUE-COMPS=YES ; FLOWSHEET ;

Creating the Aspen Flowsheet

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

Figure 2-13 Locating the BKP file

Select More Files… and then click the OK button.


Figure 2-14 standard windows open dialog

Locate the folder where you stored the OLI Chemistry Wizard files and the BKP file. Select the file and click Open. Accept whatever local or network setting you must to activate the Aspen PLUS program. You may see the following warning:

Figure 2-15 Compatibility warning

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


Figure 2-16 A blank flowsheet

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

Figure 2-17 Neutral 1 Process


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 Variable Type Stream-Prop Variable Target Stream 7 Prop-Set PH Variable Target Value 9.0 Tolerance 0.01 Vary Stream 5 Vary Option Substream: Mixed

Variable: Mole-Flow Lower Bound: 50 Upper Bound: 400


Stream Results3 STREAM ID 1 2 3 4 5 FROM : ---- ---- B1 B1 ---- TO : B1 B1 ---- B2 B2 SUBSTREAM: MIXED PHASE: 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 0.0 HSO4- 0.0 2.2444 0.0 1.3844 0.0 NACO3- 0.0 0.0 0.0 0.0 0.0 NA+ 0.0 0.0 0.0 0.0 4.2964 NASO4- 0.0 0.0 0.0 0.0 0.0 NH2CO2- 0.1369 0.0 0.0 1.2593-14 0.0 NH4+ 1.1288 0.0 0.0 2.9902 0.0 NH4SO4- 0.0 0.0 0.0 0.5372 0.0 CL- 0.0 0.2650 0.0 0.2650 0.0 S2O5-2 5.2967-12 0.0 0.0 2.6261-08 0.0 SO3-2 0.3520 0.0 0.0 2.2342-07 0.0 SO4-2 0.0 0.4058 0.0 0.7286 0.0 TOTAL FLOW: LBMOL/HR 199.2946 153.3210 0.2585 349.8579 247.0449 LB/HR 3625.0069 2919.3737 11.2377 6533.1429 4467.6404 CUFT/HR 58.1387 44.1667 105.4193 102.1074 69.2293 STATE 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 3.5685 LB/CUFT 62.3510 66.0989 0.1066 63.9831 64.5340 AVG MW 18.1892 19.0409 43.4679 18.6737 18.0843 MIXED SUBSTREAM PROPERTIES: *** LIQUID PHASE *** PH 9.3417 -1.0102-02 MISSING 1.1326 13.7227

3 Many zero rows have been eliminated from this report.


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+04 CUFT/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 MIXED SUBSTREAM PROPERTIES: *** LIQUID PHASE *** PH MISSING 9.0018

A Guide to Using The Aspen OLI Interface ASPEN Emergency Chlorine Scrubber Flowsheet 3-35

Chapter 3 ASPEN Emergency Chlorine Scrubber Flowsheet

A Tour of the OLI-ASPEN Interface (RADFRAC example) The following example is a simulation of a Chlorine scrubber. Caustic is used to remove chlorine from a gas stream. The caustic feed rate to the column is adjusted to reduce the chlorine in the column overhead gas to .5 moles/hr.


Using the OLI Chemistry Wizard, create a chemistry model with the following components. We recommend the name of the model to be CHLORINE. Turn off all solids in this model. H2O, CO2, CL2, N2, NAOH

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


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

Create the following flowsheet using the Model Manager


Caustic Feed Stream (Stream 1)

Feed Stream (Stream 2)


RADFRAC (Block B1) configuration (5 stages)

RADFRAC (Block B1) streams


RADFRAC (Block B1) pressure

RADFRAC (Block B1) estimates


Design Specs for BLOCK B1

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

Now Click the Feed/Product Streams tab


Now select the Vary Object

Vary flow rate of feed stream 1 to meet spec.

Now run the case


Stream Results STREAM ID 1 2 3 4 FROM : ---- ---- B1 B1 TO : B1 B1 ---- ---- SUBSTREAM: MIXED PHASE: LIQUID VAPOR VAPOR LIQUID COMPONENTS: LBMOL/HR H2O 122.1216 5.0045 10.9120 117.5265 CO2 0.0 52.0070 51.7654 1.4695-02 CL2 0.0 5.0045 0.1102 2.1833-03 HCLO 0.0 0.0 0.2811 3.2991 HCL 0.0 0.0 1.6514-11 3.4404-13 N2 0.0 57.9816 57.9812 3.3607-04 NAHCO3 0.0 0.0 8.3206-32 7.7676-02 NAOH 0.0 0.0 0.0 0.0 H2CO3IN 0.0 0.0 0.0 0.0 NA2CO3 0.0 0.0 0.0 0.0 NA2O 0.0 0.0 0.0 0.0 NA3HCO32 0.0 0.0 0.0 0.0 NA5H3C34 0.0 0.0 0.0 0.0 NACL 0.0 0.0 0.0 0.0 NACLOIN 0.0 0.0 0.0 0.0 TRONA 0.0 0.0 0.0 0.0 WEGSCH 0.0 0.0 0.0 0.0 OH- 6.4314 0.0 0.0 1.5179-07 CLO- 0.0 0.0 9.0811-31 1.3119 CO3-2 0.0 0.0 4.6347-33 3.0622-04 HCO3- 0.0 0.0 2.5647-31 0.1487 H+ 1.3657-14 0.0 0.0 4.4076-07 NACO3- 0.0 0.0 1.9663-33 2.0863-04 NA+ 6.4314 0.0 2.2222-30 6.3535 CL- 0.0 0.0 1.0464-30 4.8921 TOTAL FLOW: LBMOL/HR 134.9844 119.9976 121.0500 133.6272 LB/HR 2457.3013 4358.0923 4121.5892 2693.8044 CUFT/HR 35.8119 4.7707+04 5.0709+04 38.8689 STATE VARIABLES: TEMP F 77.0000 91.4000 115.0744 88.8297 PRES PSIA 14.6959 14.8429 14.6959 14.6959 VFRAC 0.0 1.0000 1.0000 0.0 LFRAC 1.0000 0.0 0.0 1.0000 SFRAC 0.0 0.0 0.0 0.0 ENTHALPY: BTU/LBMOL -1.2076+05 -7.7605+04 -8.1556+04 -1.1780+05 BTU/LB -6633.5141 -2136.8217 -2395.2777 -5843.2814 BTU/HR -1.6301+07 -9.3125+06 -9.8724+06 -1.5741+07 ENTROPY: BTU/LBMOL-R 15.0569 48.5361 48.5467 16.6418 BTU/LB-R 0.8271 1.3364 1.4258 0.8255 DENSITY: LBMOL/CUFT 3.7693 2.5153-03 2.3872-03 3.4379 LB/CUFT 68.6168 9.1351-02 8.1280-02 69.3049 AVG MW 18.2043 36.3182 34.0487 20.1591 MIXED SUBSTREAM PROPERTIES: *** LIQUID PHASE *** PH 14.5297 MISSING MISSING 6.7064

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

Chapter 4 ASPEN Amine Gas Cleanup Flowsheet

A Tour of the OLI-ASPEN Interface

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

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


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 DEXH4 When done entering the component names, click the Next button to continue. You may be required to fill in some blank names on the AspenPlus Component ID & Alias dialog. If so, use the same name as the AspenPlus ID

Figure 4-1 Missing Aspen Alias

Figure 4-2 Filled in Alias

4 This the OLI name for diethanolamine.


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.


Start up the ASPEN PLUS by double clicking on the ASPEN icon: Select “more files” and locate the file dea.bkp and open this file. Select Data on the action bar, then Components should show the species created from ESP.

Create the following flowsheet using the Model Manager

Block B1 - RADFRAC Block B2 - RADFRAC Block B3 - FLASH2 Block B4 - MIXER Block B6 - HEATER


Gas Feed Stream (Stream 1)

Water Maker-up Stream (Stream 11)


Dea Make-up Stream (Stream 12) Specifications

Dea Make-up Stream (Stream 12) Flash Options


Tear Stream Guess (Stream 6)


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.


Dea Absorber – RADFRAC (Block B1) pressure

Dea Absorber – RADFRAC (Block B1) estimates


Dea Absorber – RADFRAC (Block B1) convergence

Flash Tank – FLASH2 (Block B3)


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.


Dea Stripper – RADFRAC (Block B2) pressure

Dea Stripper – RADFRAC (Block B2) estimates


Dea Stripper – RADFRAC (Block B2) convergence

Add Make up Water MIXER (Block B4)


Add Make up DEA – HEATER (Block B6)

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

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


Enter the name for the water flow rate as WATFL.

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


Click the close button.


Design_Spec DS-1 spec


Design_Spec DS-1 vary

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

Click the New…button. 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


DEAFL which is defined to be the neutral form of diethanolamine (DEXH). The second variable is DEXCO which is the amine which has absorbed a carbon dioxide molecule (DEXCO2-). The final variable is DEXH2 which is the protonated form of the amine (DEXH2+). We will then control via the design specification on the sum of these three amine forms.

Click on the New button to add the first variable DEAFL

Click OK


Click Close and repeat the steps to add the variable DEXCO


Finally repeat for the final variable DEXH2


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


Design-Spec DS-2 define

Click on the Spec tab


Design-Spec DS-2 spec

Click on the Vary tab.


Design-Spec DS-2 vary

There are some thermodynamic variables required by Aspen PLUS that OLI does not provide. Typically these are in the property PLXANT. If an error occurs during the run you will need to update these values. Open up the data browser and locate the PLXANT-1 property set.


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


Use the drop-down box to find the component DEXH

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


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


Stream Results 1 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 4.2055 0.0 49.2232 C3H8 1.0000 0.0 0.0 0.0 1.5711-04 C4H10 0.5000 0.0 0.0 0.0 5.2068-05 CH4 92.0000 0.0 0.0 0.0 2.3457-02 CO2 2.0000 2.5264-06 0.0 0.0 1.4584-03 DEXH 0.0 11.9506 0.0 1.0000-09 6.2923 C2H6 2.0000 0.0 0.0 0.0 4.5576-04 H2S 2.0000 8.2943-06 0.0 0.0 1.0952-02 H2CO3IN 0.0 0.0 0.0 0.0 0.0 OH- 0.0 7.3351-03 7.7077-09 0.0 6.9591-05 DEXCO2- 0.0 1.3038-04 0.0 0.0 1.4056 DEXH2+ 0.0 5.9064-02 0.0 0.0 4.3120 HCO3- 0.0 7.4775-03 0.0 0.0 0.3516 H+ 0.0 1.4114-10 7.7077-09 0.0 2.8850-09 HS- 0.0 6.0494-03 0.0 0.0 1.9715 CO3-2 0.0 1.3862-02 0.0 0.0 0.2628 S-2 0.0 5.1742-03 0.0 0.0 2.8817-02 TOTAL FLOW: KMOL/HR 99.5000 62.0497 4.2055 1.0000-09 63.8843 KG/HR 1765.3995 2165.2911 75.7643 1.0514-07 2318.4349 L/MIN 1973.5479 35.6326 1.2659 1.0188-09 34.8277 STATE VARIABLES: TEMP C 30.0000 115.5082 25.0000 25.0000 72.9978 PRES ATM 20.1000 20.1000 20.1000 20.1000 20.0500 VFRAC 1.0000 0.0 0.0 0.0 0.0 LFRAC 0.0 1.0000 1.0000 1.0000 1.0000 SFRAC 0.0 0.0 0.0 0.0 0.0 ENTHALPY: CAL/MOL -1.9310+04 -7.2686+04 -6.8304+04 -9.5512+04 -7.5562+04 CAL/GM -1088.3598 -2082.9267 -3791.4266 -908.4561 -2082.1117 CAL/SEC -5.3372+05 -1.2528+06 -7.9793+04 -2.6531-05 -1.3409+06 ENTROPY: CAL/MOL-K 39.2897 35.2588 17.0842 3.7188 31.5419 CAL/GM-K 2.2144 1.0104 0.9483 3.5371-02 0.8691 DENSITY: MOL/CC 8.4028-04 2.9023-02 5.5368-02 1.6359-02 3.0572-02 GM/CC 1.4909-02 1.0128 0.9975 1.7199 1.1095 AVG MW 17.7427 34.8961 18.0154 105.1370 36.2911 MIXED SUBSTREAM PROPERTIES: *** LIQUID PHASE *** PH MISSING 9.9323 6.9927 MISSING 8.6617


3 4 6 7 8 --------- STREAM ID 3 4 6 7 8 FROM : B3 B2 B6 B3 B1 TO : B2 B4 B1 ---- ---- MAX CONV. ERROR: 0.0 0.0 1.5879-05 0.0 0.0 SUBSTREAM: MIXED PHASE: LIQUID LIQUID LIQUID VAPOR VAPOR COMPONENTS: KMOL/HR H2O 49.2175 45.7944 50.0175 6.8986-03 0.1910 C3H8 5.3003-06 5.7844-29 0.0 1.5181-04 0.9998 C4H10 1.2380-06 5.7844-29 0.0 5.0830-05 0.4999 CH4 1.1311-03 2.6022-26 0.0 2.2326-02 91.9765 CO2 1.4424-03 3.5600-06 5.0369-10 2.5779-03 2.0744-07 DEXH 6.3012 11.9500 11.9494 2.2502-07 3.0637-05 C2H6 2.0926-05 5.9186-29 0.0 4.3483-04 1.9995 H2S 1.0311-02 1.1039-05 5.6404-08 6.2603-03 5.7185-06 H2CO3IN 0.0 0.0 0.0 0.0 0.0 OH- 7.0350-05 7.3177-03 5.6571-03 0.0 3.4806-33 DEXCO2- 1.4043 6.8032-05 1.6007-02 0.0 9.0794-33 DEXH2+ 4.3043 5.9771-02 4.4489-02 0.0 2.7998-32 HCO3- 0.3502 7.9488-03 1.0567-04 0.0 9.5981-35 H+ 2.9961-09 1.2528-10 2.3009-12 0.0 0.0 HS- 1.9655 4.9087-03 1.0463-02 0.0 6.3433-33 CO3-2 0.2630 1.3452-02 5.3590-03 0.0 3.9660-33 S-2 2.9150-02 6.3121-03 7.6879-04 0.0 5.3353-34 TOTAL FLOW: KMOL/HR 63.8482 57.8442 62.0497 3.8701-02 95.6669 KG/HR 2317.6029 2089.5268 2165.2948 0.8320 1612.2596 L/MIN 34.9033 34.5534 33.9055 12.1751 1941.4627 STATE VARIABLES: TEMP C 73.1726 122.2390 30.0000 73.1726 33.9714 PRES ATM 1.5000 1.5000 20.1000 1.5000 20.0000 VFRAC 0.0 0.0 0.0 1.0000 1.0000 LFRAC 1.0000 1.0000 1.0000 0.0 0.0 SFRAC 0.0 0.0 0.0 0.0 0.0 ENTHALPY: CAL/MOL -7.5588+04 -7.3005+04 -7.4709+04 -2.7593+04 -1.8082+04 CAL/GM -2082.3984 -2020.9781 -2140.8963 -1283.4923 -1072.9175 CAL/SEC -1.3406+06 -1.1730+06 -1.2877+06 -296.6341 -4.8051+05 ENTROPY: CAL/MOL-K 31.3980 36.5292 30.1331 46.5444 39.2310 CAL/GM-K 0.8650 1.0112 0.8635 2.1650 2.3279 DENSITY: MOL/CC 3.0488-02 2.7901-02 3.0501-02 5.2978-05 8.2126-04 GM/CC 1.1067 1.0079 1.0644 1.1390-03 1.3841-02 AVG MW 36.2987 36.1234 34.8961 21.4987 16.8528 MIXED SUBSTREAM PROPERTIES: *** LIQUID PHASE *** PH 8.6458 9.9530 11.6868 MISSING MISSING


9 - STREAM ID 9 FROM : B2 TO : ---- SUBSTREAM: MIXED PHASE: VAPOR COMPONENTS: KMOL/HR H2O 4.0077 C3H8 5.3003-06 C4H10 1.2380-06 CH4 1.1311-03 CO2 1.9974 DEXH 3.6056-10 C2H6 2.0926-05 H2S 1.9937 H2CO3IN 0.0 OH- 0.0 DEXCO2- 0.0 DEXH2+ 1.4591-34 HCO3- 5.0089-35 H+ 0.0 HS- 9.5925-35 CO3-2 0.0 S-2 0.0 TOTAL FLOW: KMOL/HR 8.0000 KG/HR 228.0759 L/MIN 3253.0129 STATE VARIABLES: TEMP C 86.2265 PRES ATM 1.2000 VFRAC 1.0000 LFRAC 0.0 SFRAC 0.0 ENTHALPY: CAL/MOL -5.3169+04 CAL/GM -1864.9416 CAL/SEC -1.1815+05 ENTROPY: CAL/MOL-K 48.7950 CAL/GM-K 1.7115 DENSITY: MOL/CC 4.0988-05 GM/CC 1.1685-03 AVG MW 28.5095 MIXED SUBSTREAM PROPERTIES: *** LIQUID PHASE *** PH MISSING

A Guide to Using The Aspen OLI Interface EFLASH and EFRACH (FraChem) 5-73

Chapter 5 EFLASH and EFRACH (FraChem)

Overview Two OLI Electrolyte blocks have been added to enable the use of OLI’s 4 phase flash (EFLASH) and OLI’s 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 MaterialStreams

FEEDS

HEAT

VAPOR (1)

AQUEOUS (2)

ORGANIC (3)

SOLID (4)

HEAT

.

.

.

Figure 5-1 EFLASH diagram

Three Outlet Material Streams

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

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

Two Outlet Material Streams

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

One Outlet Material Stream

(1) - ALL PHASES

Example In this case we will create a chemistry model as described in early sections. This model will contain H2O, NaCl, C10H22 and N2. When prompted, select the second organic liquid phase as well as the aqueous, vapor and solid phases.

Start Aspen PLUS as you would normally and open the BKP file you just created using either the OLI Chemistry Wizard or OLI Chemistry Generator.

Select the Library menu item.

Select References…


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

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

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

The icons for the library appear at the left hand side.


The EFLASH and EFRACH (a/k/a FraChem) appear on this library pallete. Like any other icon, we can drag the icon to the work sheet. Create the following worksheet:

B1: Eflash4 B2: Flash3 Enter the following composition for STREAM 1 Temperature 25 C Pressure 1 ATM H2O 100 kmol/hr C10H22 10 kmol/hr N2 1 kmol/hr NaCl 20 kmol/hr


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.


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.


1 2 3 4 5 6 7

MIXED VAPOR LIQUID SOLID MISSING LIQUID LIQUID

Substream: MIXED

Mole Flow lbmol/hr

H2O 220.4623 0.0530786 220.4092 0 0 7.97E‐03 220.4012

C10H22 22.04623 4.00E‐03 22.04223 0 0 22.04222 4.80E‐07

HCL 1.80E‐12 9.96E‐13 8.03E‐13 0 0 0 0

N2 2.204623 2.162302 0.0423205 0 0 0.0415593 7.61E‐04

NACL 0 0 0 0 0 0 0

NAOHW1 0 0 0 0 0 0 0

NAOH 0 0 0 0 0 0 0

NACL‐S 19.66807 0 0 19.66807 0 0 0

NAOH‐S 0 0 0 0 0 0 0

OH‐ 1.39E‐07 0 1.39E‐07 0 0 0 1.39E‐07

H+ 1.39E‐07 0 1.39E‐07 0 0 0 1.39E‐07

NA+ 24.42438 0 24.42438 0 0 0 24.42438

CL‐ 24.42438 0 24.42438 0 0 0 24.42438

Total Flow lbmol/hr 313.23 2.219382 291.3425 19.66807 0 22.09175 269.2507

Total Flow lb/hr 9747.232 62.09899 8535.672 1149.46 0 3137.614 5398.058

Total Flow cuft/hr 1018.273 869.6067 140.1569 8.509561 0 68.20093 71.95598

Temperature F 77 77 77 77 77 77

Pressure psia 14.69595 14.69595 14.69595 14.69595 14.69595 14.69595 14.69595

Vapor Frac 7.09E‐03 1 0 0 0 0

Liquid Frac 0.9301234 0 1 0 1 1

Solid Frac 0.0627911 0 0 1 0 0

Enthalpy Btu/lbmol ‐1.20E+05 ‐2684.868 ‐1.17E+05 ‐1.77E+05 ‐1.29E+05 ‐1.16E+05

Enthalpy Btu/lb ‐3867.461 ‐95.95564 ‐4008.032 ‐3027.367 ‐908.7212 ‐5809.502

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

Entropy Btu/lbmol‐R 21.65743 45.90025 21.46558 21.76371 101.8803 14.90378

Entropy Btu/lb‐R 0.6959674 1.640449 0.7326705 0.3723923 0.7173327 0.7433884

Density lbmol/cuft 0.307609 2.55E‐03 2.078688 2.311291 0.3239216 3.741882

Density lb/cuft 9.572315 0.0714104 60.90083 135.0787 46.00545 75.01889

Average MW 31.11845 27.9803 29.29772 58.44297 142.0265 20.04844

Liq Vol 60F cuft/hr 1.882868 11.88138 0 68.63595

*** LIQUID PHASE ***

PH 6.945542 6.945544 6.9455

Input Language


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


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. _______________________________________________________________________


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. ________________________________________________________________________


EFRACH (Electrolyte Distillation, Frachem)

2

3

1

N

DECANTOR

FEEDS

PRODUCTS

VAPOR OR LIQUID

HEAT HEAT

HEATHEAT

HEAT HEAT

Figure 5-2 EFRACH diagram


Example: Chlorine Scrubber

In this example we will rebuild the emergency chlorine scrubber from Chapter 3 in to the Frachem unit operation. To start, we need to copy our existing model or create a new model using the Chemistry Wizard. The components are:

H2O, CO2, CL2, N2 and NaOH. For this example, however, we need to create a new BKP file. Open the newly created BKP file and create the following flowsheet. Remember to use the References menu item to load the OLI unit operations:

We will now begin to create the blocks. First let’s enter the input streams 1 and 2. These will have the same composition as in Chapter 3 except the units are lbmole/hr. Here is the input for Stream 1:


Now for the input for stream 2:

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

Now click on the Streams tab


A note to OLI/ESP users, although this is an OLI block we have adopted Aspen PLUS’s convention that the top stage is number 15. Stream 1 is the caustic stream and is a liquid stream. Liquid streams should enter above the vapor streams. In our case it will enter on Stage 1. Stream 2 is the vapor stream containing the chlorine gas. Vapor streams should enter below liquid streams. We will have Stream 2 enter on the bottom stage 5. The vapor distillate stream is Stream 3 and the liquid bottoms are Stream 4. We are not using any side draws for this example. Please update the Streams tab to match the image below.

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

There are no exchangers or internal specifications for this unit.

5 In ESP, the bottom stage is stage 1, just the opposite of Aspen PLUS.


Design Spec…

As with the example in Chapter 3, there is a design specification for this case. We will repeat the design specification here. We can start by adding the design specification by following this path: Data | Flowsheeting Options | Design Spec

The following image is displayed:


Click the New… button.

We will accept the default name DS-1. Click the OK button. We now need to define the variable for the specification.


We are defining the variable CL2FLOW. This will be the specified variable of 0.5 lbmol/hr of Chorine in the distillate flow. Now click the EDIT button.

The variable is part of the stream. The type is Mole-Flow and we are referring to Stream 3. The component is CL2. Update this dialog as shown. Then click the Close button. Next click the Spec tab.


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

As in Chapter 3, we will adjust the liquid stream flow rate to match the specification. The variable type is StreamVar for Stream 1. We are adjusting the MOLE-FLOW of the stream. We do need to set some reasonable bounds for the varied variable. Not to let the stream flow rate go below 25 lbmole/hr or more than 200 lbmole/hr seems reasonable. Please update the dialog. We are now ready to run the calculation. Please execute this case as you would do normally.

EFRACH Results

You can review the results as normal except that there is not block report for an OLI block. The data is available however. You need to create a report.


Select View | Report to display the following dialog:

No click the OK button. This will display the block report directly from the OLI solver. Unfortunately unit conversion is not possible in this text file. Select the OLI block by checking the box. Most of the data a user will require is in this report. BLOCK: B1 MODEL: USER2 ----------------------------- INLET STREAMS: 1 2 OUTLET STREAMS: 3 4 FIRST PROPERTY SPECS PROPERTY OPTION SET: OLI CHEMISTRY ID: EFRACH - TRUE SPECIES SECOND PROPERTY SPECS PROPERTY OPTION SET: OLI CHEMISTRY ID: EFRACH - TRUE SPECIES *** MASS AND ENERGY BALANCE *** IN OUT RELATIVE DIFF. TOTAL BALANCE MOLE(LBMOL/HR) 101.269 101.167 0.100748E-02 MASS(LB/HR ) 2829.48 2829.48 -0.263890E-07 ENTHALPY(BTU/HR ) -0.988034E+07 -0.988039E+07 0.522189E-05 Column Profile -------------- Stage Temperature Liquid Rate Vapor Rate F LBMOL/HR LBMOL/HR 1 109.54299 46.84070 54.76410


2 96.13559 46.64050 54.92210 3 91.08339 46.50080 54.66480 4 89.13059 46.44160 54.52850 5 88.53679 46.40340 54.47240 Aqueous Composition (mole fractions) ----------------------------------- Stage H2O CO2 CL2 HCLO HCL 1 0.88978 8.820212E-05 2.626613E-06 1.556788E-02 2.026352E-15 2 0.88042 1.010849E-04 1.239067E-05 2.428156E-02 3.022325E-15 3 0.87918 1.073482E-04 1.545393E-05 2.526966E-02 2.764672E-15 4 0.87909 1.103708E-04 1.635422E-05 2.525821E-02 2.636510E-15 5 0.88101 1.122418E-04 1.678189E-05 2.323764E-02 2.870844E-15 Aqueous Composition (mole fractions) ----------------------------------- Stage N2 NAOH H2CO3 NA2CO3 NA2CO3.10H2O 1 2.276769E-06 0.0 0.0 0.0 0.0 2 2.399693E-06 0.0 0.0 0.0 0.0 3 2.485182E-06 0.0 0.0 0.0 0.0 4 2.528435E-06 0.0 0.0 0.0 0.0 5 2.560747E-06 0.0 0.0 0.0 0.0 Aqueous Composition (mole fractions) ----------------------------------- Stage NA2CO3.1H2O NA2CO3.7H2O NA2O NA3HCO32 NA5H3CO34 1 0.0 0.0 0.0 0.0 0.0 2 0.0 0.0 0.0 0.0 0.0 3 0.0 0.0 0.0 0.0 0.0 4 0.0 0.0 0.0 0.0 0.0 5 0.0 0.0 0.0 0.0 0.0 Aqueous Composition (mole fractions) ----------------------------------- Stage NACL NACLO NAHCO3 NAOH.1H2O TRONA 1 0.0 0.0 7.092011E-04 0.0 0.0 2 0.0 0.0 5.134660E-04 0.0 0.0 3 0.0 0.0 5.548476E-04 0.0 0.0 4 0.0 0.0 5.813750E-04 0.0 0.0 5 0.0 0.0 5.614361E-04 0.0 0.0 Aqueous Composition (mole fractions) ----------------------------------- Stage WEGSCHEIDER OH-1 CLO-1 CO3-2 HCO3-1 1 0.0 5.941974E-09 1.493656E-02 1.110072E-05 1.906624E-03 2 0.0 1.687359E-09 1.082419E-02 2.720466E-06 1.104189E-03 3 0.0 1.272963E-09 1.019515E-02 2.370384E-06 1.101361E-03


4 0.0 1.156112E-09 9.919917E-03 2.312834E-06 1.118919E-03 5 0.0 1.064682E-09 8.513581E-03 2.055246E-06 1.071013E-03 Aqueous Composition (mole fractions) ----------------------------------- Stage H+1 NACO3-1 NA+1 CL-1 1 1.911671E-09 5.454026E-06 4.692961E-02 3.005876E-02 2 3.215629E-09 1.654925E-06 4.733366E-02 3.539819E-02 3 3.323530E-09 1.559454E-06 4.743611E-02 3.613330E-02 4 3.321950E-09 1.568386E-06 4.747073E-02 3.642570E-02 5 3.384569E-09 1.406306E-06 4.753045E-02 3.794034E-02 Vapor Composition (mole fractions) ---------------------------------- Stage H2O CO2 CL2 HCLO HCL 1 7.595193E-02 0.42928 9.288236E-03 5.244236E-03 4.374351E-13 2 5.027024E-02 0.43036 3.489960E-02 5.609248E-03 5.256623E-13 3 4.283821E-02 0.43153 3.951775E-02 5.004243E-03 4.401478E-13 4 4.019349E-02 0.43264 4.015531E-02 4.696811E-03 4.045544E-13 5 3.945018E-02 0.43312 4.040741E-02 4.208668E-03 4.325016E-13 Vapor Composition (mole fractions) ---------------------------------- Stage N2 NAOH H2CO3 NA2CO3 NA2CO3.10H2O 1 0.48024 0.0 0.0 0.0 0.0 2 0.47886 0.0 0.0 0.0 0.0 3 0.48111 0.0 0.0 0.0 0.0 4 0.48232 0.0 0.0 0.0 0.0 5 0.48281 0.0 0.0 0.0 0.0 Vapor Composition (mole fractions) ---------------------------------- Stage NA2CO3.1H2O NA2CO3.7H2O NA2O NA3HCO32 NA5H3CO34 1 0.0 0.0 0.0 0.0 0.0 2 0.0 0.0 0.0 0.0 0.0 3 0.0 0.0 0.0 0.0 0.0 4 0.0 0.0 0.0 0.0 0.0 5 0.0 0.0 0.0 0.0 0.0 Vapor Composition (mole fractions) ---------------------------------- Stage NACL NACLO NAHCO3 NAOH.1H2O TRONA 1 0.0 0.0 0.0 0.0 0.0 2 0.0 0.0 0.0 0.0 0.0 3 0.0 0.0 0.0 0.0 0.0 4 0.0 0.0 0.0 0.0 0.0 5 0.0 0.0 0.0 0.0 0.0


Vapor Composition (mole fractions) ---------------------------------- Stage WEGSCHEIDER 1 0.0 2 0.0 3 0.0 4 0.0 5 0.0 Scaling Index ------------- Stage NA2CO3.10H2O NA2CO3.1H2O NA2CO3.7H2O NACL NAHCO3 1 <.0001 0.0002 <.0001 0.0745 0.2307 2 <.0001 <.0001 <.0001 0.0931 0.1619 3 <.0001 <.0001 <.0001 0.0960 0.1726 4 <.0001 <.0001 <.0001 0.0969 0.1798 5 <.0001 <.0001 <.0001 0.1007 0.1724 Scaling Index ------------- Stage NAOH.1H2O TRONA 1 <.0001 0.0002 2 <.0001 <.0001 3 <.0001 <.0001 4 <.0001 <.0001 5 <.0001 <.0001

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