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Aspen Plus Thermo Training
Special Packages, Special Packages, Generalized Correlations Generalized Correlations
and and Association EOSAssociation EOS
Dr. Jungho Cho, ProfessorDepartment of Chemical Engineering
Dong Yang University
Special Packages Slide 3
Special Data PackagesSpecial Data Packages
➤ PRO/II has a number of thermodynamic methods specially developed for special industrial applications:
Alcohol Dehydration Systems (ALCOHOL)Amines Package (AMINE)Sour Water Packages (SOUR and GPSWATER)Glycol Package (GLYCOL)
Special Packages Slide 4
Alcohol Package (ALCOHOL)Alcohol Package (ALCOHOL)
➤ Alcohol package uses the NRTL method (uses same BIP’s with NRTL method) to calculate phase equilibria. This package uses a special set of NRTL BIP’s for alcohols, water and other components.
➤ Temperature:122 – 230 oF for H2O-alcohol systems.150 – 230 oF for all other systems.
➤ Pressure: up to 1,500 psia
Special Packages Slide 5
Alcohol Package (ALCOHOL)Alcohol Package (ALCOHOL)
SRKM is used for the vapor enthalpy and density and the vapor and liquid entropy calculations.Ideal methods were used to estimate the liquid enthalpy and density calculations. Ideal liquid densities are obtained from pure-component saturated-liquid density correlations.Ideal liquid enthalpies are obtained from pure-component liquid enthalpy correlations and the corresponding vapor enthalpies are obtained by adding in the effect of the known latent heat of vaporization of the component.
Special Packages Slide 6
Difference between Alcohol & NRTL MethodDifference between Alcohol & NRTL Method
➤ Alcohol Package:COMPONENT DATA
LIBRARY ID 1,ETHANOL/2,WATER/3,BENZENE
THERMODYNAMIC DATA
METHOD SYSTEM=NRTL
➤ NRTL Method:COMPONENT DATA
LIBRARY ID 1,ETHANOL/2,WATER/3,BENZENE
THERMODYNAMIC DATA
METHOD SYSTEM=ALCOHOL
Special Packages Slide 7
BIPBIP’’ss when using Alcohol Package when using Alcohol Package
➤ ALCOHOL Package:
VLE LIQUID INTERACTION PARAMETERS FOR SET 'NRTL01‘
NRTL BINARY COEFFICIENTS
I J A(I,J) B(I,J) C(I,J) ALPHAC UNITS FROM
A(J,I) B(J,I) C(J,I) ALPHAT
--- --- ----------- ----------- ----------- ------- --------- ----
1 2 0.498538 -456.0020 0.00 0.1448 DEG K SIMSCI VLEBANK
1.015340 536.2640 0.00 0.0000
1 3 -0.448518 440.5140 0.00 0.5355 DEG K SIMSCI VLEBANK
-2.748070 1472.2400 0.00 0.0000
2 3 3.611500 716.6600 0.00 0.2000 DEG K SIMSCI VLEBANK
-5.803300 2933.8999 0.00 0.0000
Special Packages Slide 8
THERMOM Methods for Alcohol Package THERMOM Methods for Alcohol Package
➤ ALCOHOL Package:
THERMODYNAMIC METHODS USED FOR EACH SET
THERMODYNAMIC SET ALCO01 (DEFAULT)
PROPERTY METHOD
-------- ------
KVALUE(VLE) ALCOHOL
KVALUE(LLE) UNSPECIFIED
KVALUE(SLE) UNSPECIFIED
LIQUID ENTHALPY IDEAL
VAPOR ENTHALPY SRK-MODIFIED-PANAGIOTOPOULOS-REID
LIQUID DENSITY IDEAL
VAPOR DENSITY SRK-MODIFIED-PANAGIOTOPOULOS-REID
LIQUID ENTROPY SRK-MODIFIED-PANAGIOTOPOULOS-REID
VAPOR ENTROPY SRK-MODIFIED-PANAGIOTOPOULOS-REID
Special Packages Slide 9
BIPBIP’’ss when using NRTL Methodwhen using NRTL Method
➤ NRTL Method:
VLE LIQUID INTERACTION PARAMETERS FOR SET 'NRTL01‘
NRTL BINARY COEFFICIENTS
I J A(I,J) B(I,J) C(I,J) ALPHAC UNITS FROM
A(J,I) B(J,I) C(J,I) ALPHAT
--- --- ----------- ----------- ----------- ------- --------- ----
1 2 0.498538 -456.0020 0.00 0.1448 DEG K SIMSCI VLEBANK
1.015340 536.2640 0.00 0.0000
1 3 -0.448518 440.5140 0.00 0.5355 DEG K SIMSCI VLEBANK
-2.748070 1472.2400 0.00 0.0000
2 3 3.611500 716.6600 0.00 0.2000 DEG K SIMSCI VLEBANK
-5.803300 2933.8999 0.00 0.0000
Special Packages Slide 10
THERMOM Methods for NRTL MethodTHERMOM Methods for NRTL Method
➤ NRTL Method:
THERMODYNAMIC METHODS USED FOR EACH SET
THERMODYNAMIC SET NRTL01 (DEFAULT)
PROPERTY METHOD
-------- ------
KVALUE(VLE) NON-RANDOM-TWO-LIQUID
KVALUE(LLE) UNSPECIFIED
KVALUE(SLE) UNSPECIFIED
LIQUID ENTHALPY IDEAL
VAPOR ENTHALPY IDEAL
LIQUID DENSITY IDEAL
VAPOR DENSITY IDEAL
LIQUID ENTROPY UNSPECIFIED
VAPOR ENTROPY UNSPECIFIED
Special Packages Slide 11
Ethanol Dehydration using Ethanol Dehydration using EntrainerEntrainer
Feed
Waste water
Concentrated ethanol
Recycle stream
Upperphase
Lower phase
Pure ethanol Waste water
Concentrator
Azeo Column Stripper
Special Packages Slide 12
Example using PRO/II Alcohol PackageExample using PRO/II Alcohol Package
23456789101112131415161718192021222324
1
25
CONC
DCNT
123456789101112131415161718192021222324
25
AZEO
CTRL
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
1
20
STRP
1
2
3
V
R
W
F2
P 7
Special Packages Slide 13
AminesAmines
Allows simulation of the treating of gas and liquid streams for the removal of H2S and CO2 using aqueous amines.The package has data for MEA, DEA, MDEA, DGA & DIPA. For MDEA and DGA, the effects of rate limitations can be simulated by applying an efficiency (we call RESIDENCE TIME FACTOR) to the equilibrium results.Based on the Kent-Eisenberg reaction equilibria model The package is not recommended for mixed amines.
Special Packages Slide 14
AcidAcid--base Chemical Equilibrium Reactionsbase Chemical Equilibrium Reactions
➤ Water:
➤ Hydrogen Sulfide:
➤ Bi-sulfide:
−+ +⇔ OHHOH 21K
−+ +⇔ HSHSH 22K
−+− +⇔ 2SHHS 3K
Special Packages Slide 15
AcidAcid--base Chemical Equilibrium Reactionsbase Chemical Equilibrium Reactions
➤ Carbon Dioxide:
➤ Bicarbonate:
➤ Alkanolamine:
−+ +⇔+ 322 HCOHCOOH 4K
−+− +⇔ 233 COHHCO 5K
NHRRHNHRR '' 2 +⇔ ++ 6K
Special Packages Slide 16
Application Guidelines for Amine SystemsApplication Guidelines for Amine Systems
For MEA and DEA systems, data have been regressed from a large number of sources, resulting in good prediction of phase equilibria for these systems.For systems containing DIPA, a limited amount of experimental data were available, and so the DIPA results are not recommended for final design purposes.The package is not recommended for mixed amines.
Special Packages Slide 17
Application Guidelines for Amine SystemsApplication Guidelines for Amine Systems
SRKM is used for the vapor enthalpy and density and the vapor and liquid entropy calculations.Ideal methods were used to estimate the liquid phase density calculations. The application ranges suggested for amine systems are shown in Table in next slide.
Special Packages Slide 18
Application Guidelines for Amine SystemsApplication Guidelines for Amine Systems
0.40.40.500.450.5 – 0.6Acid gas loading,Gmole gas/gmole amine
~30~50~55 – 65~25 – 35~15 – 25Concentratio,Wt% amine
< 275< 275< 275< 275< 275Temperature, oF
100 -1000
100 -1000
100 -1000
100 -1000
25-500Pressure, psigDIPAMDEADGADEAMEA
AMINE
Special Packages Slide 19
THERMOM Methods for AMINE Package THERMOM Methods for AMINE Package
➤ AMINE Package:
THERMODYNAMIC METHODS USED FOR EACH SET
THERMODYNAMIC SET AMIN01 (DEFAULT)
PROPERTY METHOD
-------- ------
KVALUE(VLE) AMINE SYSTEM
KVALUE(LLE) UNSPECIFIED
KVALUE(SLE) UNSPECIFIED
LIQUID ENTHALPY AMINE SYSTEM
VAPOR ENTHALPY SRK-MODIFIED-PANAGIOTOPOULOS-REID
LIQUID DENSITY IDEAL
VAPOR DENSITY SRK-MODIFIED-PANAGIOTOPOULOS-REID
LIQUID ENTROPY SRK-MODIFIED-PANAGIOTOPOULOS-REID
VAPOR ENTROPY SRK-MODIFIED-PANAGIOTOPOULOS-REID
Special Packages Slide 20
Sour Gas Removal using Aqueous AmineSour Gas Removal using Aqueous Amine
ACID GAS
FEEDGAS
RICH AMINE
EXCHANGEAMINE
ABSORBER
SWEET GAS
10
20
11
3
T101
13 12
MAKE-UPH2O
11GASESFLASH
V101
D101
5
P101
2
X1022017
9
REGENERATORT102
LEAN AMINE
6
4
7
V1028
100
X101
SF = 0.80 SF = 0.85
Special Packages Slide 21
Sour Water SystemsSour Water Systems
➤ PRO/II has 2 sour water methods available:SOURGPSWAT
➤ SOURBased on the SWEQ (Sour Water EQuilibrium) model developed by Grant Wilson for the API/EPA.Contains the 4 sour components: (H2O, NH3, H2S, CO2)Based on correlations of the sour component partial pressures.
Special Packages Slide 22
Sour Water SystemsSour Water Systems
➤ GPSWATBased on the GPSWAT model developed by Grant Wilson for the GPA.Contains 19 components, including the 4 sour components: (H2O, NH3, H2S, CO2)It is a rigorous model of the reactive equilibria in the system.
Special Packages Slide 23
Sour Water SystemsSour Water Systems
➤ Both Methods:Both methods can be used for rigorous VLLE calculations .Both methods can be used with petroleum fractions.
Special Packages Slide 24
Difference between SOUR and GPSAWATERDifference between SOUR and GPSAWATER
1
2
3
4
5
6
7
COL1
1
2
3
4
15025
Temperature (F)Pressure (psia)
2.0003.000
795.654810.5605.0000.2380.5950.430
25,584.713
N2CH4H2SNH3CO2HCNNC6NC9H2O
Composition (lb/hr)Feed Component
Feed Stream Information
Special Packages Slide 25
Keyword Input for Sour Water StripperKeyword Input for Sour Water Stripper
➤ SOUR:THERMODYNAMIC DATA
METHOD KVAL(VLE)=SOUR,ENTH(L)=IDEAL,&
ENTH(V)=SRKM,DENS(L)=IDEAL,&
DENS(V)=SRKM
➤ GPSWATER:THERMODYNAMIC DATA
METHOD KVAL(VLE)=GPSWAT,ENTH(L)=IDEAL,&
ENTH(V)=SRKM,DENS(L)=IDEAL,&
DENS(V)=SRKM
Special Packages Slide 26
Glycol Dehydration (GLYCOL Package)Glycol Dehydration (GLYCOL Package)
➤ Natural gas dehydration with Triethylene Glycol (TEG).
➤ Uses the SRKM equation of state.➤ Rigorously models either VLE or VLLE behavior.➤ T range: 80 oF to 400 oF.
P range: Up to 2000 psia.➤ Glycol (EG, DEG, TEG or TTEG) and water must
be present.
Special Packages Slide 27
Gas Dehydration using TEGGas Dehydration using TEG
WETGAS
GASESFLASH
VAPORH2O
REGENERATOR
TANKFLASH
10
1
T101GLYCOL DEHYDRATOR
3
P102
16 15
X103LEAN TEG
D101
5
4V101
6V102
11
P101
12
X101
10
7
13
20
X101
V103
19
14
TEG.RICH
21 22
STRIPPING GAS
T102REGEN
98
T103STRIPPER
18
SF = 0.50
2 17 DRY GAS
Special Packages Slide 29
Hydrocarbon Systems ( I )Hydrocarbon Systems ( I )
➤ Refining ProcessesGrayson-Streed: H2-rich Systems, CDU, VDU, CokerFractionator, FCC Main FractionatorSRK, PR : Lightends Columns, Splitters, GCRSOUR: Sour Water SystemsSRKKD, SRKM, SRKS : Use if HC Solubility in Water (VLLE) is important.Based on the GPSWAT model developed by Grant Wilson for the GPA.
Special Packages Slide 30
Hydrocarbon Systems ( II )Hydrocarbon Systems ( II )
➤ Gas ProcessesSRK, PR : All types of gas processing plants including cryogenic systemsSRKM, PRM : Systems with water, CO2 and other polar components (Check BIP’s.)GLYCOL : Dehydration with TEG.AMINE : Natural Gas Sweetening.SRKKD, SRKM, SRKS : Use if light gas. solubility in water (VLLE) is important.Grayson-Streed: H2-rich Systems, CDU, VDU, Coker Fractionator
Special Packages Slide 31
Chemical Systems (LACT Models)Chemical Systems (LACT Models)
➤ Gas ProcessesNon-ideal components (Liquid phase)Low to moderate pressure about up to 10 barRely on binary interaction parameters strongly (if parameters are missing, the results will be close to ideal !)Missing parameters can be estimated from structures.Used with Henry’s law option for non condensibles(supercritical gases).VLLE with some methods