Chapter 2 ASPEN Neutralization Flowsheet...(HCL), sulfuric acid (H2SO4) and sodium hydroxide (NAOH)....

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 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.


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 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.


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.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.


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


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. 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.


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.


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 S1 S2 S5 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 S7 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

After entering the parameters, run the case as you would normally. Below are the stream results from this case.

Stream Results5

S 1 S 2 S 3 S 4 S 5 S 6 S 7

L I Q U I D L I Q U I D V A P O R L I Q U I D L I Q U I D MISSING L I Q U I D

Substream: MIXED

Mole Flow lbmol/hr

H2O 195.1984 147.0848 0.0174917 342.7762 238.4408 0 585.1222

CO2 7.44E‐05 0 0.2253382 0.1273939 0 0 8.32E‐05

H2SO4 0 9.59E‐11 1.20E‐18 2.24E‐12 0 0 9.93E‐28

HCL 0 1.45E‐07 1.24E‐09 1.73E‐08 0 0 2.64E‐16

NH3 2.261664 0 4.42E‐11 3.44E‐08 0 0 1.420104

SO2 2.15E‐11 0 0.0156863 0.2787144 0 0 7.88E‐11

SO3 0 1.30E‐14 8.88E‐26 3.56E‐16 0 0 1.61E‐31

NAHCO3 0 0 0 0 0 0 8.25E‐03

OH ‐ 3.33E‐04 4.77E‐14 0 3.47E‐12 4.29623 0 4.49E‐04

CO3‐2 0.0709798 0 0 5.41E‐15 0 0 0.0196422

HCO3‐ 0.1447537 0 0 1.58E‐06 0 0 0.0815735

H+ 2.22E‐09 3.321171 0 0.7119154 1.47E‐13 0 1.76E‐08

HSO3‐ 6.92E‐04 0 0 0.0583326 0 0 1.26E‐03

HSO4‐ 0 2 . 2 4 4 2 0 1.384453 0 0 4.85E‐08

NACO3‐ 0 0 0 0 0 0 2.38E‐03

NA+ 0 0 0 0 4.29623 0 3.620523

NASO4‐ 0 0 0 0 0 0 0.6650796

NH2CO2‐ 0.1369258 0 0 1.26E‐14 0 0 0.0154692

NH4+ 1.128747 0 0 2.990142 0 0 1.70128

NH4SO4‐ 0 0 0 0.5371948 0 0 0.390484

CL ‐ 0 0.2650175 0 0.2650176 0 0 0.2650177

S2O5‐2 5.30E‐12 0 0 2.63E‐08 0 0 6.85E‐12

SO3‐2 0.3520412 0 0 2.23E‐07 0 0 0.3357919

SO4‐2 0 0.405977 0 0.7285285 0 0 1.594613

Total Flow lbmol/hr 199.2946 153.3212 0.2585163 349.8579 247.0332 0 595.2442

Total Flow lb/hr 3625.007 2919.374 11.23717 6533.143 4467.429 0 11000.57

5 Many zero rows have been eliminated from this report.


Total Flow cuft/hr 58.13849 44.16623 105.4135 102.1067 69.22457 0 172.3245

Temperature F 1 0 4 7 7 101.6182 101.6182 8 6 103.905

Pressure psia 14.69595 14.69595 14.69595 14.69595 14.69595 14.69595 14.69595

Vapor Frac 0 0 1 0 0 0

Liquid Frac 1 1 0 1 1 1

Solid Frac 0 0 0 0 0 0

Enthalpy Btu/lbmol ‐1.22E+05 ‐1.25E+05 ‐1.62E+05 ‐1.24E+05 ‐1.22E+05 ‐1.23E+05

Enthalpy Btu/lb ‐6686.974 ‐6549.363 ‐3730.412 ‐6630.567 ‐6747.892 ‐6678.214

Enthalpy Btu/hr ‐2.42E+07 ‐1.91E+07 ‐41919.29 ‐4.33E+07 ‐3.01E+07 ‐7.35E+07

Entropy Btu/lbmol‐R 17.49235 16.37875 51.55665 17.44762 16.41605 17.40234

Entropy Btu/lb‐R 0.9616897 0.8601875 1.186084 0.9343413 0.9077501 0.9416459

Density lbmol/cuft 3.427929 3.471457 2.45E‐03 3.426394 3.568577 3.454205

Density lb/cuft 62.35124 66.09968 0.1066009 63.98349 64.53531 63.83638

Average MW 18.18919 19.0409 43.46796 18.67371 18.08433 18.48077

Liq Vol 60F cuft/hr 56.78935 43.06153 0.0257129 99.71482 69.67748 0 170.0456

*** LIQUID PHASE ***

PH 9.341721 ‐0.0100955 1.13261 13.7226 9.001767 As you can see, the pH of stream S7 is 9.0 within the tolerance we defined.

Chapter 2 ASPEN Neutralization Flowsheet...(HCL), sulfuric acid (H2SO4) and sodium hydroxide (NAOH)....

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Transcript of Chapter 2 ASPEN Neutralization Flowsheet...(HCL), sulfuric acid (H2SO4) and sodium hydroxide (NAOH)....