Download Appendix B

Appendix B. Proposed binary interaction parameters for
the CPA EoS
The proposed sets of binary interaction parameters based on all previous publications for
the sCPA EoS are tabulated in the following tables.
Table B.1. Binary interaction parameters for VLE of alcohols – hydrocarbon
systems.
System
methanol – propane
methanol - butane
methanol – pentane
ethanol – propane
ethanol – isobutane
ethanol - pentane
ethanol – hexane
ethanol – cyclohexane
ethanol – isooctane
propanol - hexane
propanol - cyclohexane
1-butanol – hexane
1-butanol – octane
1-butanol – decane
Ref
1
1
2
3
3
3
4
4
4
5
5
5
6
6
6
7
7
7
8
9
10
11
11
12
12
13
14
15
16
17
17
17
17
18
18
T (K)
293.05
313.1
352.2
273.15
323.15
373.15
372.7
397.7
422.6
325
350
375
308.6
318.4
363.5
372.7
397.7
422.6
298.15
298.15
323.15
298.15
323.15
298.15
323.15
298.15
298.15
323.15
333.15
283.16
293.19
298.15
308.09
358.15
373.15
1
kij
0.026
0.059
0.067
0.035
0.050
0.059
0.051
0.051
0.051
0.038
0.038
0.038
0.018
0.018
0.018
0.045
0.045
0.045
0.01
0.033
0.033
-0.017
-0.017
0.017
0.017
0.029
0.012
0.012
0.012
0.0
0.0
0.0
0.0
0.015
0.015
ΔP %
3.1
4.3
5.0
4.7
1.3
1.9
2.0
1.9
2.5
3.2
3.2
5.6
1.8
1.6
4.0
2.4
2.1
2.1
1.2
2.7
3.3
2.0
4.6
1.0
1.6
1.0
4.1
2.5
3.5
1.4
1.6
2.4
3.0
0.9
0.8
Δy * 100
1.3
0.8
1.0
2.3
0.8
0.7
1.8
1.8
1.3
0.2
0.3
0.9
0.4
0.8
3.4
1.2
1.1
0.7
0.5
2.1
1.5
1.2
3.0
0.3
0.6
0.6
0.6
0.4
0.4
0.6
0.3
1-pentanol – heptane
1-octanol – decane
1-octanol – undecane
1-octanol – dodecane
18
19
20
20
21
21
21
21
21
21
388.15
358.15
373.15
383.15
393.15
413.15
393.15
413.15
393.15
413.15
0.015
0.024
0.033
0.033
0.033
0.033
0.04
0.04
0.04
0.04
1.0
2.3
3.9
2.9
2.9
2.7
2.0
2.3
1.3
1.7
0.3
1.1
-
References: () Galivel – Solastiouk et al., Fluid Phase Equilib. 1986, 28, 73; (2) Leu et al., Can. J. Chem.
Eng. 1992, 70, 330; (3) Leu et al., Aiche Symposioum Series, 1989, 85, 11; (4) Wilsak et al., Fluid Phase
Equilib. 1987, 33, 157; (5) Horizoe et al., J. Chem. Eng. Jpn. 1993, 26, 482; (6) Zabaloy et al., J. Chem.
Eng. Data, 1994, 39, 214; (7) Campbell et al., J. Chem. Thermodyn. 1987, 19, 449; (8) Iguchi et al.,
Kagaku Sochi 1978, 20, 66; (9) Coto et al., J. Chem. Soc., Faraday Trans. 1995, 91, 273; (0) Scatchard et
al., J. Am. Chem. Soc. 1964, 86, 130; (1) Kretschmer et al., J. Am. Chem. Soc. 1948, 70, 1785; (12)
Gmehling et al., Vapor – Liquid equilibria data collection. DECHEMA Chemistry data series, 1982, Vol 1,
Part 2c; (3) Smirnova et al., Zh. Fiz. Khim. 1969, 43, 1883; (4) Rodriguez et al., J. Chem. Eng. Data 1993,
38, 350; (5) Heintz et al., Fluid Phase Equilib. 1986, 27, 61; (6) Berro et al., J. Chem. Eng. Data 1982, 27,
352; (7) Gracia et al., J. Chem. Thermodyn. 1992, 24, 843; (8) Bernatová et al., Fluid Phase Equilibria
1992, 74, 127; (9) Machova et al., Fluid Phase Equilib. 1988, 41, 257; (20) Plesnar et al., Thermochimica
Acta 1989, 150, 101; (2) Schmelzer et al., Chem. Techn. 1979, 31, 570.
Table B.2. Binary interaction parameters for LLE of alcohols – hydrocarbon
systems.
System
Methanol – pentane
Methanol – hexane
Methanol – cyclohexane
Methanol – heptane
Ethanol - dodecane
Ethanol – tetradecane
Ethanol – hexadecane
Reference
1
2,3
4
5
5
5,6
kij
0.0128 (50 bar)
0.01
0.04
0.005
-0.031
-0.033
-0.04
References: () Skrzecz, A., 1989. Recommended data for LLE of l-alkanol + n-alkane mixtures (IUPAC
project, Commission 1.2); (2) Hradetzky et al., Int. Data Series, Selected Data on Mixtures, Ser. A (1986)
218; (3) Marhold et al., Thermochim. Acta, 1998, 231, 127–131; (4) Sørensen et al., Liquid – liquid
equilibrium data collection, (Binary Systems), DECHEMA Chemistry Data Series, Frankfurt, 1980, vol. 5,
Part 1; (5) Dahlmann et al., J. Chem. Thermodyn., 1989, 21, 897 – 1008; (6) Hiroyuki et al., Fluid Phase
Equilibria, 2004, 224, 31-37.
2
Table B.3. Binary interaction parameters for VLE of alcohol – water systems with Elliott
rule.
System
Ref
T (K)
water – methanol
1
2
3
3
3
3
4
2
5
5
6
6
6
6
6
1
7
8
9
10
6
6
6
6
298.15
333.15
373.15
423.15
473.15
523.15
298.14
333.15
343.15
363.15
423.15
473.15
523.15
598.15
623.15
298.15
333.15
363.15
298.15
353.15
423.15
473.15
523.15
548.15
water – ethanol
water – propanol
water – isopropanol
kij
-0.09
-0.09
-0.09
-0.09
-0.09
-0.09
-0.11
-0.11
-0.11
-0.11
-0.11
-0.11
-0.11
-0.11
-0.11
-0.08
-0.08
-0.08
-0.16
-0.16
-0.16
-0.16
-0.16
-0.16
ECR single k12
ΔP %
Δy * 100
4.8
1.7
0.8
0.4
3.5
0.9
1.9
1.5
2.1
0.8
2.4
1.2
1.0
0.9
1.9
1.2
2.6
1.5
2.6
1.5
2.6
1.3
2.1
0.9
1.7
0.6
0.9
2.1
1.7
2.0
1.9
1.3
0.7
0.7
1.8
1.2
1.4
1.2
4.8
2.6
3.2
2.2
2.3
0.8
1.8
0.6
2.0
0.5
References: () Butler et al., J. Chem. Soc., 1933, 674 – 686; (2) Kurihara et al., J. Chem. Eng. Data, 1995,
40, 679 – 684; (3) Griswold et al., Chem. Eng. Prog., Symp. Ser., 1952, 48 (3), 18; (4) Phutela et al., Aust.
J. Chem., 1979, 32 (11), 2353 – 2359; (5) Pemberton et al., J. Chem. Thermodyn., 1978, 10, 867 – 888; (6)
Barr-David et al, J. Chem. Eng. Data, 1959, 4, 107 – 121; (7) Woerpel et al., Z. Phys. Chem. (Leipzig),
1977, 258 (5), 905 – 912; (8) Ratcliff et al., Can. J. Chem. Eng., 1969, 47, 148 – 153; (9) Sazonov et al.,
Zh. Prikl. Khim. (Leningrad), 1986, 59, 1451 – 1456; (0) Wu et al., Fluid Phase Equilib. 1988, 43, 77 – 89.
Table B.41. Binary interaction parameters for LLE of alcohol – water systems with CR-1
rule. Only CR-1 rule provides good results for both solubilities.
System
1-butanol – water
1-pentanol – water
1-octanol – water
1-dodecanol – water
CR – 1
kij
-0.065
-0.037
-0.059
-0.113
Reference
1
1
2
3
3
%AAD xW
5.6
2.9
0.9
27.7
References: () Sørensen et al., Liquid – liquid equilibrium data collection, (Binary Systems), DECHEMA
Chemistry Data Series, Frankfurt, 1980, vol. 5, Part 1; (2) Dallos et al., J. Chem. Thermodynamics, 1995,
27, 447: (3) IUPAC, Solubility Data Series, Volume 15, Alcohols with Water, Pergamon Press, 1984.
Table B.5. Binary interaction parameters for VLE of acids – hydrocarbon systems.
System
Ref.
T (K)
kij
ΔP %
Δy * 100
Acetic acid – octane
1
323.15
0.053
1.19
2.3
343.15
0.064
1.13
3.1
Acetic acid – cyclohexane 2
318.15
0.092
1.7
2.5
Propionic acid – heptane
3
298.15
0.025
2.47
2.3
323.15
0.017
1.76
2.5
References: () Plesnar et al., J.Chem. Eng. Data, 1996, 41, 799; (2) Lark et al., J.Chem. Eng. Data, 1984,
29, 277; (3) Lark et al., J.Chem. Eng. Data, 1985, 30, 286.
Table B.6. Binary interaction parameters for VLE Txy data of acids – hydrocarbon
systems.
System
P(KPa)
kij
ΔT
Δy * 100
Acetic acid – octane
101.3
0.065
0.3
2.4
Acetic acid – cyclohexane
101.3
0.095
0.73
2.3
Propionic acid – heptane
101.3
0.029
1.72
2.3
References: A. Maczynsk, A. Skrzecz, TRC data bases for chemistry and engineering, in: Floppy Book on
Vapor–Liquid Equilibrium Data – Binary Systems, Version 1998-1, Warszawa, Texas.
Table B.7. Binary interaction parameters for LLE of acids – hydrocarbon systems.
System
kij
Acetic acid – decane
0.043
References: Sørensen, J.M.; Arlt, W. Liquid – liquid equilibrium data collection, (Binary Systems),
DECHEMA Chemistry Data Series, Frankfurt, 1980, vol. 5, Part 1.
Table B.8. Binary interaction parameters for LLE of glycols – hydrocarbon systems.
System
kij
MEG – hexane
0.059
MEG – heptane
0.047
MEG – methylcyclohexane
0.061
1,2-PG – heptane
0.032
DEG – heptane
0.065
TEG – heptane
0.094
Tetra-EG – heptane
0.101
System
Exp. T / K
k12

MEG – benzene
MEG – toluene
DEG – benzene
279.1–342.1
279.1–381.7
293 – 353
0.049
0.051
0.028
0.04
0.042
0.035
4
Ai B j
DEG – toluene
TEG – benzene
TEG – toluene
306 – 386
279.6–287.6
279.0-345.4
0.046
0.032
0.038
0.033
0.083
0.048
References: (1) Derawi et al., J. Chem. Eng. Data, 2002, 47, 169; (2) Kugo et al., Mem. Fac. Eng.
Hokkaido Univ. 1960, 11, 41; (3) Zaretskii et al., Zh. Prik. Kh. 1970, 43, 2269; (4) Mandik et al.,
Collection of Czechoslovak Chem. Commun. 1982, 47, 1686; (5) Hughes et al., J. Chem. Eng. Data. 1990,
35, 467; (6) Sørensen, J.M.; Arlt, W. Liquid – liquid equilibrium data collection, (Binary Systems);
DECHEMA Chemistry Data Series, Frankfurt, 1980, vol. V, Part 1; (7) Folas et al., J. Chem. Eng. Data
2006, 51, 977.
Table B.9. Binary interaction parameters for VLE of glycols – water systems.
System
Ref
T (K)
kij
ΔP %
Δy * 100
MEG – water
1
343.15
-0.028 (CR-1)
1.81
0.11
-0.115 (Elliott)
2.68
0.11
1
363.15
-0.012 (CR-1)
2.29
0.45
-0.115 (Elliott)
2.68
0.11
DEG – water
2
393.15
-0.115 (CR-1)
1.65
0.15
-0.361 (Elliott)
13.78
0.63
TEG – water
3
297.6
-0.211 (CR-1)
5.62
-0.372 (Elliott)
13.64
3
332.6
-0.201 (CR-1)
3.77
-0.337 (Elliott)
10.35
References: () Chiavone-Filho et al., J. Chem. Eng. Data, 1993, 38, 128-131; (2) Klyucheva et al., Zh.
Prikl. Khim., 1980, 53 (5), 794-796; (3) Herskowitz et al., J. Chem. Eng. Data, 1984, 29, 173-175.
Table B.10. Binary interaction parameters for VLE of amines – hydrocarbon
systems.
System
T (K)
kij
ΔP %
Δy * 100
Methylamine – hexane
218
0.0042
6.1
0.57
233
0.009
3.3
0.29
263
0.0123
1.6
0.16
293
0.0087
1.1
0.22
Methylamine – butane
218
0.026
0.9
233
0.0275
0.8
288
0.0271
0.3
Diethylamine – hexane
333.15
-0.0005
0.6
0.29
Diethylamine – heptane
328
-0.0024
1.0
0.32
308
-0.0026
1.0
0.38
Ethylamine – butane
273.15
0.0248
0.4
293.15
0.0241
0.4
233.15
0.0225
0.8
218.15
0.0226
1.2
Ethylamine – hexane
293.15
0.0121
0.6
273.15
0.0128
0.7
5
253.15
0.0127
1.5
-
References: A. Maczynsk, A. Skrzecz, TRC data bases for chemistry and engineering, in: Floppy Book on
Vapor–Liquid Equilibrium Data – Binary Systems, Version 1998-1, Warszawa, Texas.
Table B.11. Binary interaction parameters for VLE of amines – alcohols/water systems.
System
T (K)
kij
ΔP %
Δy * 100
Diethylamine – methanol
398.58
-0.0739 (CR-1)
1.1
-0.123 (ELLIOTT)
0.3
297.97
-0.2 (CR-1)
2.1
-0.2361 (ELLIOTT)
2.8
Diethylamine – ethanol
313.15
-0.1126 (CR-1)
2.2
-0.13 (ELLIOTT)
2.0
Diethylamine – water
329.95
-0.2914 (CR-1)
6.1
2.0
-0.4158 (ELLIOTT)
16.4
4.9
Ethylamine – ethanol
293.15
-0.1587
2.2
0.3
References: A. Maczynsk, A. Skrzecz, TRC data bases for chemistry and engineering, in: Floppy Book on
Vapor–Liquid Equilibrium Data – Binary Systems, Version 1998-1, Warszawa, Texas.
Table B.12. Binary interaction parameters for VLE Txy data of amines – alcohols/water
systems.
System
Ethylamine – ethanol
Ethylamine – water
P(kPa)
102Kpa
80 Kpa
kij
-0.18
-0.35
ΔT
0.3
1.5
Δy * 100
3.8
4.6
References: A. Maczynsk, A. Skrzecz, TRC data bases for chemistry and engineering, in: Floppy Book on
Vapor–Liquid Equilibrium Data – Binary Systems, Version 1998-1, Warszawa, Texas.
Table B.13. Binary interaction parameters for LLE of water – hydrocarbon systems, based
on the generalized expression which is valid from propane up to n-decane: kij = - 0.026
*(carbon number) + 0.1915
Hydrocarbon
T range [K]
kij
propane
butane
n-pentane
n-hexane
n-heptane
n-octane
n-decane
278 – 366
310 – 420
280 – 420
280 – 473
280 – 420
310 - 550
290 – 566
0.1135
0.0875
0.0615
0.0355
0.0095
-0.0165
-0.0685
Hydrocarbon
T range
[K]
kij
% AAD in
Xwater
3.4
11.7
13.4
11.9
11.5
9.7
8.2

Ai B j
6
% AAD in XHC
% AAD in ywater
35.9
26.5
28.4
31.1
63.3
44.1
264
4.1
9.5
1.9
-
% AAD in
Xwater
% AAD in
XHC
% AAD in
ywater
benzene
toluene
ethylbenzene
propylbenzene
m-xylene
1-hexene
1-octene
1-decene
273 - 473
273 – 473
303 - 568
280 – 420
373 - 473
310 - 496
310 - 540
310 - 550
0.0355
0.0095
-0.0165
-0.0425
-0.0165
0.0355
-0.0165
-0.0685
0.079
0.06
0.051
0.041
0.039
0.021
0.021
0.021
5.3
5.1
6.5
14.3
3.7
7.6
4.7
12.7
19.5
23.5
47.1
38.5
8.3
29.3
23.4
288
1.1
1.2
1.1
-
References: (1) Tsonopoulos, Fluid Phase Equilibria, 2001, 186, 185; (2) Tsonopoulos, Fluid Phase
Equilibria, 1999, 156, 21; (3) Sørensen, J.M.; Arlt, W. Liquid – liquid equilibrium data collection, (Binary
Systems); DECHEMA Chemistry Data Series, Frankfurt, 1980, vol. V, Part 1; (4) Anderson et al., Fluid
Phase Equilib., 1986, 32, 63; (5) Chen et al., J. Chem. Eng. Data 1994, 39, 475; (6) Chen et al., J. Chem.
Eng. Data 1994, 39, 679; (7) Heidman et al., AIChE Journal 1985, 31, 376; (8) Owens et al., J. Chem. Eng.
Data 1986, 31, 47; (9) Economou et al., AIChE Journal 1997, 43, 535; (10) Tsonopoulos et al., AIChE J.,
1983, 29, 990; (11) Heidman et al., AIChE J. 1985, 31, 376.
Table B.13. Binary interaction parameters for solubilities of gases in acids.
System
Ref.
T (K)
kij
Acetic acid – H2
1
298.15
-0.3
1
323.15
1
348.15
Acetic acid – CH4
1
298.15
0.16
1
323.15
0.18
1
348.15
0.20
Acetic acid – CO2
1
298.15
0.0
1
323.15
1
348.15
Acetic acid – CO
1
298.15
0.0
1
323.15
1
348.15
Acetic acid – N2
2
323.2
0.1515
2
373.2
2
423.2
2
473.2
Acetic acid – O2
2
423.42
0.1809
2
473.82
References: () Jónasson et al., Fluid Phase Equilib., 1998, 152, 67; (2) Efremova et al., Khim. Prom-st
(Moscow), 1961, 563.
7
Table B.14. Binary interaction parameters for VLE of aromatics - acid systems (no
solvation).
System
Ref.
T (K)
kij
Acetic acid – Benzene
1
293.15
0.035
Acetic acid – Toluene
2
303.15
0.02
References: () Werner, J. Prakt. Chem., 1965, 29, 26; (2) Markuzin et al., Zh. Prikl Khim, 1971, 44, 311.
Table B.152. Binary interaction parameters for LLE of aromatics - acid systems (no
solvation).
System
P (kPa) kij
Formic acid – Benzene
101.32
0.13
References: Ewins, J.Chem. Soc., 1914, 105, 350.
Table B.16. Binary interaction parameters for LLE of hydrocarbons - acid systems.
System
P (kPa) kij
Δx, acetic (%)
Acetic acid – octane
101.32
0.046
6.52
Acetic acid – nonane
101.32
0.043
7.96
Acetic acid – decane
101.32
0.0408
4.11
Acetic acid – undecane
101.32
0.0390
4.02
Acetic acid – dodecane
101.32
0.0379
9.14
Acetic acid – cyclohexane
101.32
0.077
1.20
References: Zieborak et al., Bull. Acad. Polon. Sci. Chim. Geol. Geogr., 1958, 6, 115.
Table B.17. Binary interaction parameters for VLE of diverse acid systems.
System
Ref.
T (K)
CR
kij
Acetic acid - Acetic anhydride 1,2
333
-0.0385
353
365
Acetic acid – Acetone (2B)
3
3
303.15
323.15
ECR
ECR
0.0
0.0
References: (1) Cherbov, Zh. Russ. Fiz. Khim. Obshch., 1930, 62, 1509; (2) Tatscheff et al., Zeit. Phys.
Chem. (Leipzig), 1968, 237, 52; (3) Meehan et al., Chem. Eng. Sci., 1965, 20, 757.
Table B.18. Binary interaction parameters for VLE Pxy of alcohols – acid systems.
System
Ref.
T (K)
CR
kij
Formic acid - 1-butanol
1
298.15
ECR
0.0651
1
308.15
1
318.15
Acetic acid - Methanol
2
308.15
ECR
-0.0348
2
318.15
Acetic acid - 1-butanol
1
308.15
CR-1
-0.06
8
Propionic acid - Methanol
3
3
3
3
298.15
300.07
308.21
318.16
CR-1
0.0008
References: (1) Apelblat et al., Z. Phys. Chem. (Wiesbaden), 1983, 137, 129; (2) Wagner, M. Thesis, Ben
Gurion University of Negev (1979); (3) Apelblat et al., J. Chem. Thermodyn., 1976, 8, 749.
Table B.19. Binary interaction parameters for VLE Txy of alcohols – acid systems.
System
Ref.
P (kPa) CR
kij
Acetic acid - 2-propanol
1,2
101.32
CR-1(1) -0.0854
Acetic acid - Isobutanol
1
101.32
CR-1(1) -0.0037
Acetic acid - Methanol
1,3
94.26
ECR
-0.0348
101.32
Propionic acid - Ethanol
4
101.32
CR-1(1) -0.0547
Propionic acid -1-propanol
4
101.32
CR-1(1) -0.0385
Propionic acid - 2-propanol
4
101.32
CR-1(1) -0.0648
Propionic acid -1-butanol
4
101.32
CR-1(1) -0.02
Propionic acid - 2- butanol
4
101.32
CR-1(1) -0.048
(1)
CR-1 and Elliott rule have identical performance.
References: () Amer-Amezaga et al., J., An. Quim., 1973, 69, 587; (2) Subrahmanyeswararao et al., Indian
J. Technol., 1974, 12, 312; (3) Sawistowski et al., J. Chem. Eng. Data, 1982, 27, 64; (4) Amer-Amezaga,
S., An. Quim., 1975, 71, 117
Table B.20. Binary interaction parameters for LLE of alcohols – water systems.
System
Ref.
P (kPa) CR
kij
2-butanol - water
1
101.32
CR-1
-0.115
Isobutanol - water
1
101.32
CR-1
-0.06
1-heptanol - water
1,2
101.32
CR-1
-0.042
References: () Sørensen, J.M.; Arlt, W. Liquid – liquid equilibrium data collection, (Binary Systems),
DECHEMA Chemistry Data Series, Frankfurt, 1980, vol. 5, Part 1; (2) Darwish et al., Fluid Phase
Equilibria, 2002, 200, 277.
Table B.21. Binary interaction parameters for VLE of alcohols – water systems.
System
Ref.
T (K)
CR
kij
Isobutanol - water
1
298.15
ECR
-0.1032
2
308.15
3
323.15
References: () Nakagawa et al, Technol. Rep. Tohoku Univ., 1973, 38, 461; (2) Lyzlova et al., Zh. Prikl.
Khim. (Leningrad), 1979, 52, 551; (3) Fischer et al., J. Chem. Eng. Data, 1994, 39, 309.
9
Table B.22. Binary interaction parameters for VLE of alcohols – hydrocarbon
systems.
System
Ref.
T (K)
kij
2-butanol - Cyclohexane
1
323.15
0.0237
1
338.15
0.023
1
348.15
0.0439
2-butanol - Heptane
2
338.15
0.0116
2
348.15
Isobutanol - Hexane
3
298.15
0.0237
3
332.53
Isobutanol - Heptane
4,5
298.15
0.0222
333.15
References: () Araujo et al., J. Chem. Thermodyn., 1993, 25, 1295; (2) Kumar et al., Indian J. Technol.,
1980, 18, 60; (3) Rodriguez et al., J. Chem. Eng.Data, 1993, 38, 350; (4) Heintz et al., Fluid Phase
Equilib., 1986, 27, 61; (5) Berro et al., J. Chem. Eng. Data, 1984, 29, 206.
Table B.23. Binary interaction parameters for VLE of alcohols – gas systems.
System
Ref.
T (K)
kij
Isobutanol - H2
1
313.2
-0.0139
1
393.2
1
473.2
Isobutanol - CO2
2
373.1
0.0388
2
423.1
2
448.1
1-heptanol - CO2
3
374.63
-0.0012
3
411.99
3
431.54
References: () Tyvina et al., Zh. Prikl. Khim. (Leningrad), 1977, 50, 2578; (2) Semenova et al., Zh. Fiz.
Khim., 1978, 52, 1149; (3) Elizalde-Solis et al., Fluid Phase Equilibria, 2003, 210 215.
Table B.24. Binary interaction parameters for LLE of ethers – water systems.
AB
System
P (kPa) kij
 i j
Ethyl propyl ether– water
Dipropyl ether – water
Diisopropyl ether – water
101.32
101.32
101.32
-0.1914
-0.177
-0.2236
0.2617
0.196
0.2373
References: Sørensen, J.M., Arlt, W., Liquid - liquid equilibrium data collection, DECHEMA; Chemistry
data series, Frankfurt, 5, (1979), Part 1
Table B.25. Binary interaction parameters for VLE Pxy of ethers – hydrocarbon
systems.
System
Ref.
T (K)
kij
Dimethyl ether - butane
1
297.86
0.0374
1
357.65
10
Diisopropyl ether - butane
Diisopropyl ether –heptane
Dipropyl ether - heptane
Dipropyl ether – nonane
1
2
2
3
3
4,5
6
405.16
273.15
373.15
323.15
343.15
343.15
363.15
0.0069
0.0023
0.0081
0.0
References: () PozoDeFernandez et al., Fluid Phase Equilib., 1992, 74, 289; (2) Giles et al., J. Chem. Eng.
Data, 1996, 41, 1223; (3) Treszczanowicz et al., J. Chem. Thermodyn., 1986, 18, 213; (4) Treszczanowicz
et al., Acad. Pol. Sci., Ser.Sci.Chim., 1973, 21, 107; (5) Treszczanowicz et al., Int. DATA Ser., Sel. data
mixtures, Ser. A, 1975, 90; (6) Maripuri et al., J. Chem. Eng. Data, 1972, 17, 454.
Table B.26. Binary interaction parameters for VLE Txy of ethers – hydrocarbon
systems.
System
P (kPa)
kij
Diisopropyl ether - cyclohexane
101.32
-0.0018
References: () Ramachandran et al., J. Chem. Eng. Jpn., 1975, 8, 400; (2) Wisniak, J. Chem. Eng. Data,
1995, 40, 924; (3) Wisniak, Int. DATA Ser., Sel. Data Mixtures, Ser. A, 1996, 24(3), 166.
Table B.27. Binary interaction parameters for VLE of ethers – acid systems.
System
Ref.
P (kPa)
kij
Dipropyl ether - Acetic acid
1
101.32
-0.0283
Dipropyl ether - Formic acid
1
101.32
-0.0699
Diisopropyl ether - Acetic acid
2
101.32
-0.0538
Diisopropyl ether - Formic acid
3,1
101.32
-0.1414
References: () Hunsmann et al., Chem.-Ing.-Tech., 1966, 38, 1053; (2) Molochnikov et al., Zh.Prikl.Khim.
(Leningrad), 1970, 43, 2348; (3) Grewer et al., Chem.-Ing.-Tech., 1973, 45, 1063;
Table B.28. Binary interaction parameters for VLE of ethers – gas systems.
System
Ref.
T (K)
kij
Diisopropyl ether – N2
1
323.2
0.0
1
273.2
1
248.2
1
223.2
Diisopropyl ether - CO2
1
323.2
0.0
1
273.2
1
298.2
1
258.2
Diisopropyl ether - methane
1
323.2
0.0
1
273.2
1
248.2
1
223.2
Dimethyl ether - methane
2
282.9
-0.0032
2
313.3
11
2
343.8
References: () Molochnikov et al., Zh.Prikl.Khim. (Leningrad), 1970, 43, 2348; (2) Garcia-Sanchez et al.,
J. Chem. Eng. Data, 1987, 32, 211.
Table B.29. Summary of VLE of other ether systems studied:
System
Ref.
T (K)
kij
Ethyl propyl ether - methanol
1
310
-0.0994
1
330
System
Ref.
P (kPa)
kij
Ethyl propyl ether 2
53.33
-0.0594
Chloroform
2
86.66
2
93.06
References: () Farkova et al., Fluid Phase Equilib., 1995, 109, 53; (2) Chevalier et al., J. Chim. Phys.
Phys.-Chim. Biol., 1969, 66, 1457.
Table B.30. Binary interaction parameters for VLE Pxy of ester(1) – acid systems.
System
Ref.
T (K)
CR
kij
Ethyl acetate - Acetic acid
1
323.2
-0.0404
1
343.2
1
373.2
Isobutyl acetate (2B) - Acetic acid
2
390.15 ECR
0.0
(1)
Unless otherwise mentioned, the esters are modeled as non-associating compounds.
References: () Malanowski, AIChE Symp.Ser., 1990, 86, 38; (2) Burguet et al., J. Chem. Eng. Data, 1996,
41, 1191.
Table B.31. Binary interaction parameters for VLE Txy of ester(1) – acid systems.
System
Ref.
P (kPa)
kij
Methyl acetate - Acetic acid
1,2
101.32
-0.0698
Methyl formate - Formic acid
3
101.32
-0.0379
(1) Unless otherwise mentioned, the esters are modeled as non-associating compounds.
References: () Sawistowski et al., J. Chem. Eng. Data, 1982, 27, 64; (2) Balashov et al., Khim. Khim.
Tekhnol., 1966, 9, 885; (3) Gilburd et al., Zh. Prikl. Khim. (Leningrad), 1983, 56, 684.
Table B.32. Binary interaction parameters for VLE Pxy of ester(1) – hydrocarbon
systems.
System
T (K)
kij
n-butyl acetate - n-heptane
347.85
0.04086
373.15
(1) Unless otherwise mentioned, the esters are modeled as non-associating compounds.
References: Scheller et al., J. Chem. Eng. Data, 1969, 14, 17.
12