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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