Application of the unified functional activity coefficient (UNIFAC) and analytical solution of groups (ASOG) for the calculation of mutual solubilities in water systems of alkanes, arenes, and alkanols

Journal of Chemical and Engineering Data

Volumn 56, Issue 12, 2011, Pages 4853-4861

  Oracz, Paweł ^a   Góral, Marian ^a  

^a INSTITUTE OF PHYSICAL CHEMISTRY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANOLS; ANALYTICAL SOLUTIONS; AVERAGE RELATIVE ERROR; INSTITUTE OF STANDARDS AND TECHNOLOGIES; INTERNATIONAL UNION OF PURE AND APPLIED CHEMISTRIES; LIQUID LIQUID EQUILIBRIUM; MUTUAL SOLUBILITY; OH GROUP; SOLUBILITY DATA; TEMPERATURE DEPENDENT; TESTING DATA; VAPOR-LIQUID EQUILIBRIUM; WATER SYSTEM;

AROMATIC COMPOUNDS; LIQUIDS; PARAFFINS; SOLUBILITY; STANDARDS; WATERWORKS;

WATER VAPOR;

EID: 83455224651     PISSN: 00219568     EISSN: 15205134     Source Type: Journal    
DOI: 10.1021/je2007956     Document Type: Article

References (29)

1. Wittig, R.; Lohmann, J.; Gmehling, J. Vapor-liquid equilibria by UNIFAC group contribution. 6. Revision and extension Ind. Eng. Chem. Res. 2003, 42, 183-188
2. Gmehling, J.; Wittig, R.; Lohmann, J.; Joh, R. A modified UNIFAC (Dortmund) model. 4. Revision and extension Ind. Eng. Chem. Res. 2002, 41, 1678-1688
3. Larsen, B. L.; Rasmussen, P.; Fredenslund, A. A modified UNIFAC group-contribution model for prediction of phase equilibria and heats of mixing Ind. Eng. Chem. Res. 1987, 26, 2274-2286
4. Tochigi, K.; Tiegs, D.; Gmehling, J.; Kojima, K. Determination of new ASOG parameters J. Chem. Eng. Jpn. 1990, 23, 453-463
5. Mengarelli, A. C.; Brignole, E. B.; Bottini, S. B. Activity coefficients of associating mixtures by group contribution Fluid Phase Equilib. 1999, 163, 195-207
6. Kang, J. W.; Abildskov, J.; Gani, R.; Cobas, J. Estimation of Mixture Properties from First- and Second-Order Group Contributions with the UNIFAC Model Ind. Eng. Chem. Res. 2002, 41, 3260-3273
7. Magnussen, T.; Rasmussen, P.; Fredenslund, A. UNIFAC parameter table for prediction of liquid-liquid equilibria Ind. Eng. Chem. Process Des. Dev. 1981, 20, 331-339
8. Gupte, P. A.; Danner, R. P. Prediction of liquid-liquid equilibria with UNIFAC: A critical evaluation Ind. Eng. Chem. Res. 1987, 26, 2036-2042
9. Kan, A. T.; Tomson, M. B. UNIFAC prediction of aqueous and nonaqueous solubilities of chemicals with environmental interest Environ. Sci. Technol. 1996, 30, 1369-1376
10. 11 Alkane-Water Systems J. Phys. Chem. Ref. Data 2004, 33, 549-577
11. Góral, M.; Ma̧czyński, A.; Wiśniewska- Gocłowska, B. Recommended Liquid-Liquid Equilibrium Data, Part 3: Alkylbenzene-Water Systems J. Phys. Chem. Ref. Data 2004, 33, 1159-1190
12. Góral, M.; Ma̧czyński, A.; Wiśniewska- Gocłowska, B. Recommended LLE Data, Part 4, Aliphatic Alcohols with Water J. Phys. Chem. Ref. Data 2006, 35, 1391-1414
13. 5 Hydrocarbons with Water J. Phys. Chem. Ref. Data 2005, 34, 441-446
14. Ma̧czyński, A.; Shaw, D. G.; Góral, M.; Wiśniewska-Gocłowska, B.; Skrzecz, A.; Owczarek, I.; Błazej, K.; Haulait-Pirson, M.-C.; Hefter, G. T.; Maczyńska, Z.; Szafrański, A.; Tsonopulos, C.; Young, C. L. Solubility Data Series, Hydrocarbons with Water and Seawater-Revised and Updated, Part 2. Benzene with Water and Heavy Water J. Phys. Chem. Ref. Data 2005, 34, 477-552
15. 12 Hydrocarbons with Water and Heavy Water J. Phys. Chem. Ref. Data 2005, 34, 657-708
16. 14 Hydrocarbons with Water J. Phys. Chem. Ref. Data 2005, 34, 709-753
17. 7 Hydrocarbons with Water and Heavy Water J. Phys. Chem. Ref. Data 2005, 34, 1399-1488
18. 10 Hydrocarbons with Water J. Phys. Chem. Ref. Data 2005, 34, 1489-1553
19. 18 Hydrocarbons with Water J. Phys. Chem. Ref. Data 2005, 34, 2261-2298
20. 9 Hydrocarbons with Water J. Phys. Chem. Ref. Data 2005, 34, 2299-2345
21. 10 Hydrocarbons with Water J. Phys. Chem. Ref. Data 2006, 35, 93-151
22. 4 alcohols with water J. Phys. Chem. Ref. Data 2007, 36, 59-132
23. 5 alcohols with water J. Phys. Chem. Ref. Data 2007, 36, 133-190
24. 6 alcohols with water J. Phys. Chem. Ref. Data 2007, 36, 399-443
25. 7 alcohols with water J. Phys. Chem. Ref. Data 2007, 36, 445-484
26. 17 alcohols with water J. Phys. Chem. Ref. Data 2007, 36, 685-732
27. Fredenslund, A.; Jones, R. L.; Prausnitz, J. M. Group-contribution estimation of activity coefficients in nonideal liquid mixtures AIChE J. 1975, 21, 1086-1099
28. Hooper, H.; Michel, S.; Prausnitz, J. M. Correlation of liquid-liquid equilibria for some water-organic liquid systems in the region 20-250 °C Ind. Eng. Chem. Res. 1988, 27, 2182-2187
29. Voutsas, E. C.; Tassios, D. P. An analysis of the UNIFAC-type group-contribution models at the highly dilute region. 2. Empirical improvements with application to water/hydrocarbon mixtures Ind. Eng. Chem. Res. 1997, 36, 4973-4976