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%.
2-14  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 Engine2. 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 9.2 in Aspen Plus | 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
2
The OLI Engine chemistry generator is supplied with the OLI Engine 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  2-15
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.
2-16  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface
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.
A Guide to Using The Aspen OLI Interface
ASPEN Neutralization Flowsheet  2-17
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.
2-18  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface
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 reduce the execution time 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.
A Guide to Using The Aspen OLI Interface
ASPEN Neutralization Flowsheet  2-19
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:
2-20  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface
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.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 "
;
3
"
The INP file is used with OLI’s ProChem software.
A Guide to Using The Aspen OLI Interface
ASPEN Neutralization Flowsheet  2-21
RUN-CONTROL MAX-TIME=36000
;
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
2-22  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface
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.
A Guide to Using The Aspen OLI Interface
ASPEN Neutralization Flowsheet  2-23
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
HCL 17 1 / 1. 1.
NH3 1 7 / 3. 1.
SO2 8 16 / 2. 1.
SO3 8 16 / 3. 1.
NAHCO3 6 1 11 8 / 1. 1. 1. 3.
H2CO3IN 6 1 8 / 1. 2. 3.
H2SO3IN 1 8 16 / 2. 3. 1.
HNH2CO2 6 1 7 8 / 1. 3. 1. 2.
NA2CO3 6 11 8 / 1. 2. 3.
NACO3W10 6 1 11 8 / 1. 20. 2. 13.
NACO3W1 6 1 11 8 / 1. 2. 2. 4.
NACO3W7 6 1 11 8 / 1. 14. 2. 10.
NA2O 11 8 / 2. 1.
NA2SO3 11 8 16 / 2. 3. 1.
NA2SO3W7 1 11 8 16 / 14. 2. 10. 1.
NA2SO4 11 8 16 / 2. 4. 1.
NA2STW10 1 11 8 16 / 20. 2. 14. 1.
NA2SOM 11 8 16 / 2. 4. 1.
NA3HCO32 6 1 11 8 / 2. 1. 3. 6.
NA3HSO42 1 11 8 16 / 1. 3. 8. 2.
NA3OHSO4 1 11 8 16 / 1. 3. 5. 1.
NA5H3C34 6 1 11 8 / 4. 3. 5. 12.
NASCO3 6 11 8 16 / 1. 6. 11. 2.
NA8OHO43 1 11 8 16 / 2. 8. 14. 3.
NACL 17 11 / 1. 1.
NAHSO3IN 1 11 8 16 / 1. 1. 3. 1.
NAHSO4 1 11 8 16 / 1. 1. 4. 1.
NANH2CO2 6 1 7 11 8 / 1. 2. 1. 1. 2.
NANH4SO4 1 7 11 8 16 / 8. 2. 2. 8. 2.
NANH4SW4 1 7 11 8 16 / 16. 2. 2. 12. 2.
NAOHW1 1 11 8 / 3. 1. 2.
NH42CO3 6 1 7 8 / 1. 8. 2. 3.
NH4SO3 1 7 8 16 / 8. 2. 3. 1.
NH42SUW1 1 7 8 16 / 10. 2. 4. 1.
NH4SO4 1 7 8 16 / 8. 2. 4. 1.
NH43HSO4 1 7 8 16 / 13. 3. 8. 2.
NH44H2 6 1 7 8 / 3. 18. 4. 9.
NH4CL 17 1 7 / 1. 4. 1.
NH4CLB 17 1 7 / 1. 4. 1.
NH4CO2NH 6 1 7 8 / 1. 6. 2. 2.
NH4H3S42 1 7 8 16 / 7. 1. 8. 2.
NH4HCO 6 1 7 8 / 1. 5. 1. 3.
NH5SO3 1 7 8 16 / 5. 1. 3. 1.
NH4HSO 1 7 8 16 / 5. 1. 4. 1.
NH4OHIN 1 7 8 / 5. 1. 1.
NAOH 1 11 8 / 1. 1. 1.
TRONA 6 1 11 8 / 2. 5. 3. 8.
WEGSCH 6 1 11 8 / 4. 3. 5. 12.
NA2CO3-S 6 11 8 / 1. 2. 3.
NA2SO3-S 11 8 16 / 2. 3. 1.
NA2SOM-S 11 8 16 / 2. 4. 1.
NA2SO4-S 11 8 16 / 2. 4. 1.
NA3SO4-S 1 11 8 16 / 1. 3. 8. 2.
NASCO3-S 6 11 8 16 / 1. 6. 11. 2.
NACL-S 17 11 / 1. 1.
NAHCO3-S 6 1 11 8 / 1. 1. 1. 3.
NAHSO4-S 1 11 8 16 / 1. 1. 4. 1.
NAOH-S 1 11 8 / 1. 1. 1.
NH4SO3-S 1 7 8 16 / 8. 2. 3. 1.
NH4SO4-S 1 7 8 16 / 8. 2. 4. 1.
NH44H2-S 6 1 7 8 / 3. 18. 4. 9.
NH4CL-S 17 1 7 / 1. 4. 1.
NH4HCO-S 6 1 7 8 / 1. 5. 1. 3.
NH5SO3-S 1 7 8 16 / 5. 1. 3. 1.
TRONA-S 6 1 11 8 / 2. 5. 3. 8.
WEGSCH-S 6 1 11 8 / 4. 3. 5. 12.
OH- 1 8 / 1. 1.
CO3-2 6 8 / 1. 3.
HCO3- 6 1 8 / 1. 1. 3.
H+ 1 / 1.
HSO3- 1 8 16 / 1. 3. 1.
2-24  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface
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
A Guide to Using The Aspen OLI Interface
ASPEN Neutralization Flowsheet  2-25
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 OH17.00737 / -1.00
PVAL CO3-2
60.00930 / -2.00
PVAL HCO361.01727 / -1.00
PVAL H+
1.00797 /
1.00
PVAL HSO381.07217 / -1.00
PVAL HSO497.07157 / -1.00
PVAL NACO382.99927 / -1.00
PVAL NA+
22.98997 /
1.00
PVAL NASO4119.05360 / -1.00
PVAL NH2CO260.03254 / -1.00
PVAL NH4+
18.03858 /
1.00
PVAL NH4SO4114.10220 / -1.00
PVAL CL35.45300 / -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
PVAL H2SO4
-0.73273E+09 /
0.0000
PVAL HCL
-0.92310E+08 /
0.0000
PVAL NH3
-0.46110E+08 /
0.0000
PVAL SO2
-0.29691E+09 /
0.0000
PVAL SO3
-0.39590E+09 /
0.0000
PVAL NAHCO3
0.0000
/ -0.95469E+09
PVAL H2CO3IN
0.0000
/
0.0000
PVAL H2SO3IN
0.0000
/
0.0000
PVAL HNH2CO2
0.0000
/
0.0000
PVAL NA2CO3
0.0000
/
0.0000
PVAL NACO3W10
0.0000
/
0.0000
PVAL NACO3W1
0.0000
/
0.0000
PVAL NACO3W7
0.0000
/
0.0000
PVAL NA2O
0.0000
/
0.0000
PVAL NA2SO3
0.0000
/
0.0000
PVAL NA2SO3W7
0.0000
/
0.0000
PVAL NA2SO4
0.0000
/
0.0000
PVAL NA2STW10
0.0000
/
0.0000
PVAL NA2SOM
0.0000
/
0.0000
PVAL NA3HCO32
0.0000
/
0.0000
PVAL NA3HSO42
0.0000
/
0.0000
PVAL NA3OHSO4
0.0000
/
0.0000
PVAL NA5H3C34
0.0000
/
0.0000
PVAL NASCO3
0.0000
/
0.0000
PVAL NA8OHO43
0.0000
/
0.0000
PVAL NACL
0.0000
/
0.0000
PVAL NAHSO3IN
0.0000
/
0.0000
PVAL NAHSO4
0.0000
/
0.0000
PVAL NANH2CO2
0.0000
/
0.0000
PVAL NANH4SO4
0.0000
/
0.0000
PVAL NANH4SW4
0.0000
/
0.0000
PVAL NAOHW1
0.0000
/
0.0000
PVAL NH42CO3
0.0000
/
0.0000
PVAL NH4SO3
0.0000
/
0.0000
PVAL NH42SUW1
0.0000
/
0.0000
PVAL NH4SO4
0.0000
/
0.0000
PVAL NH43HSO4
0.0000
/
0.0000
PVAL NH44H2
0.0000
/
0.0000
PVAL NH4CL
0.0000
/
0.0000
PVAL NH4CLB
0.0000
/
0.0000
PVAL NH4CO2NH
0.0000
/
0.0000
PVAL NH4H3S42
0.0000
/
0.0000
2-26  ASPEN Neutralization Flowsheet
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0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
A Guide to Using The Aspen OLI Interface
PVAL NH4HCO
0.0000
PVAL NH5SO3
0.0000
PVAL NH4HSO
0.0000
PVAL NH4OHIN
0.0000
PVAL NAOH
0.0000
PVAL TRONA
0.0000
PVAL WEGSCH
0.0000
PVAL NA2CO3-S
0.0000
PVAL NA2SO3-S
0.0000
PVAL NA2SOM-S
0.0000
PVAL NA2SO4-S
0.0000
PVAL NA3SO4-S
0.0000
PVAL NASCO3-S
0.0000
PVAL NACL-S
0.0000
PVAL NAHCO3-S
0.0000
PVAL NAHSO4-S
0.0000
PVAL NAOH-S
0.0000
PVAL NH4SO3-S
0.0000
PVAL NH4SO4-S
0.0000
PVAL NH44H2-S
0.0000
PVAL NH4CL-S
0.0000
PVAL NH4HCO-S
0.0000
PVAL NH5SO3-S
0.0000
PVAL TRONA-S
0.0000
PVAL WEGSCH-S
0.0000
PVAL OH0.0000
PVAL CO3-2
0.0000
PVAL HCO30.0000
PVAL H+
0.0000
PVAL HSO30.0000
PVAL HSO40.0000
PVAL NACO30.0000
PVAL NA+
0.0000
PVAL NASO40.0000
PVAL NH2CO20.0000
PVAL NH4+
0.0000
PVAL NH4SO40.0000
PVAL CL0.0000
PVAL S2O5-2
0.0000
PVAL SO3-2
0.0000
PVAL SO4-2
0.0000
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
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0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
0.0000
-0.22999E+09
-0.67523E+09
-0.68993E+09
0.0000
-0.62622E+09
-0.88910E+09
-0.93424E+09
-0.24030E+09
-0.11526E+10
-0.50577E+09
-0.13326E+09
-0.10416E+10
-0.16708E+09
-0.97069E+09
-0.63555E+09
-0.90960E+09
A Guide to Using The Aspen OLI Interface
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0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
0.00535
ASPEN Neutralization Flowsheet  2-27
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 OH20785.0
PVAL CO3-2
20785.0
PVAL HCO320785.0
PVAL H+
20785.0
PVAL HSO320785.0
2-28  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
PVAL
HSO4NACO3NA+
NASO4NH2CO2NH4+
NH4SO4CLS2O5-2
SO3-2
SO4-2
20785.0
20785.0
20785.0
20785.0
20785.0
20785.0
20785.0
20785.0
20785.0
20785.0
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. Use the standard file/open dialogs to open the NEUTRAL1.BKP file.
Accept whatever local or network setting you must to activate the Aspen PLUS program. You may see the following
warning:
Figure 2-13 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. Keep the Upgrade retired databanks check box selected.
Click the OK button.
A Guide to Using The Aspen OLI Interface
ASPEN Neutralization Flowsheet  2-29
Figure 2-14 A blank flowsheet
We are now presented with a blank flowsheet. To increase the workspace we will deactivate the Economincs, Engergy
and EDR Exchanger Feasibility tool bar4.
We will create the following process:
4
This is an advanced option under File | Options | Advanced.
2-30  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface
Figure 2-15 Neutral 1 Process
This process mixes a basic stream (S1) with an acidic stream (S2) adiabatically in block B1. The resultant vapor stream
(S3) is drawn off and the mixed liquid (S4) is neutralized with a sodium hydroxide stream (S5) 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)
S1
40
1
200
55.5
1
0.1
0.1
0
0
0
S2
25
1
150
55.5
0
0
0
0.1
1.0
0
B1
0
1
Design Specification
Variable Name
Variable Type
Variable Target
Prop-Set
Variable Target Value
Tolerance
Vary
A Guide to Using The Aspen OLI Interface
S5
30
1
100
55.5
0
0
0
0
0
1
B2
0
1
DS-1
PH
Stream-Prop
S7
PH
9.0
0.01
Stream 5
ASPEN Neutralization Flowsheet  2-31
Vary Option
Substream: Mixed
Variable: Mole-Flow
Lower Bound: 50
Upper Bound: 400
After entering the parameters, run the case as you would normally.
Below are the stream results from this case.
Stream Results5
Substream: MIXED Mole Flow lbmol/hr H2O CO2 H2SO4 HCL NH3 SO2 SO3 NAHCO3 OH‐ CO3‐2 HCO3‐ H + HSO3‐ HSO4‐ NACO3‐ NA+ NASO4‐ NH2CO2‐ NH4+ NH4SO4‐ C L ‐ S2O5‐2 SO3‐2 SO4‐2 Total Flow lbmol/hr Total Flow lb/hr 5
S
1 L I Q U I D 195.1984 7.44E‐05 0 0 2.261664 2.15E‐11 0 0 3.33E‐04 0.0709798 0.1447537 2.22E‐09 6.92E‐04 0 0 0 0 0.1369258 1.128747 0 0 5.30E‐12 0.3520412 0 199.2946 3625.007 S
2 L I Q U I D 147.0848
0
9.59E‐11
1.45E‐07
0
0
1.30E‐14
0
4.77E‐14
0
0
3.321171
0
2.2442
0
0
0
0
0
0
0.2650175
0
0
0.405977
153.3212
2919.374
S
3 V A P O R 0.0174917
0.2253382
1.20E‐18
1.24E‐09
4.42E‐11
0.0156863
8.88E‐26
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0
0.2585163
11.23717
S
4 L I Q U I D 342.7762
0.1273939
2.24E‐12
1.73E‐08
3.44E‐08
0.2787144
3.56E‐16
0
3.47E‐12
5.41E‐15
1.58E‐06
0.7119154
0.0583326
1.384453
0
0
0
1.26E‐14
2.990142
0.5371948
0.2650176
2.63E‐08
2.23E‐07
0.7285285
349.8579
6533.143
S
5 L I Q U I D 238.4408 0 0 0 0 0 0 0 4.29 623 0 0 1.47E‐13 0 0 0 4.29 623 0 0 0 0 0 0 0 0 247.0332 4467.429 S
6 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 S
7 L I Q U I D 585.1222
8.32E‐05
9.93E‐28
2.64E‐16
1.420104
7.88E‐11
1.61E‐31
8.25E‐03
4.49E‐04
0.0196422
0.0815735
1.76E‐08
1.26E‐03
4.85E‐08
2.38E‐03
3.620523
0.6650796
0.0154692
1.70 128
0.390484
0.2650177
6.85E‐12
0.3357919
1.594613
595.2442
11000.57
Many zero rows have been eliminated from this report.
2-32  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface
Total Flow cuft/hr Temperature F Pressure psia Vapor Frac Liquid Frac Solid Frac Enthalpy Btu/lbmol Enthalpy Btu/lb Enthalpy Btu/hr Entropy Btu/lbmol‐R Entropy Btu/lb‐R Density lbmol/cuft Density lb/cuft Average MW Liq Vol 60F cuft/hr *** LIQUID PHASE *** P H 58.13849 1 0 4 14.69595 0 1 0 ‐1.22E+05 ‐6686.974 ‐2.42E+07 17.49235 0.9616897 3.427929 62.35124 18.18919 56.78935 9.341721 44.16623 105.4135 102.1067 69.22457 7
7 101.6182 101.6182 8
6 14.69595 14.69595 14.69595 14.69595 0
1
0
0 1
0
1
1 0
0
0
0 ‐1.25E+05 ‐1.62E+05 ‐1.24E+05 ‐1.22E+05 ‐6549.363 ‐3730.412 ‐6630.567 ‐6747.892 ‐1.91E+07 ‐41919.29 ‐4.33E+07 ‐3.01E+07 16.37875 51.55665 17.44762 16.41605 0.8601875 1.186084 0.9343413 0.9077501 3.471457 2.45E‐03 3.426394 3.568577 66.09968 0.1066009 63.98349 64.53531 19.0 409 43.46796 18.67371 18.08433 43.06153 0.0257129 99.71482 69.67748 ‐0.0100955 1.13 261 13.7 226 0 172.3245
103.905
14.69595 14.69595
0
1
0
‐1.23E+05
‐6678.214
‐7.35E+07
17.40234
0.9416459
3.454205
63.83638
18.48077
0 170.0456
9.001767
As you can see, the pH of stream S7 is 9.0 within the tolerance we defined.
A Guide to Using The Aspen OLI Interface
ASPEN Neutralization Flowsheet  2-33
2-34  ASPEN Neutralization Flowsheet
A Guide to Using The Aspen OLI Interface