Analysis of the UNIFAC-Type Group-Contribution Models at the Highly Dilute Region. 1. Limitations of the Combinatorial and Residual Expressions

Industrial and Engineering Chemistry Research

Volumn 36, Issue 11, 1997, Pages 4965-4972

  Voutsas, Epaminondas C ^a   Tassios, Dimitrios P ^a  

^a NATIONAL TECHNICAL UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; MATHEMATICAL MODELS;

FLORY HUGGINS THEORY; UNIVERSAL FUNCTIONAL GROUP ACTIVITY COEFFICIENT (UNIFAC) MODELS;

MIXTURES;

EID: 0031275175     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie960770c     Document Type: Article

References (21)

1. Daubert, T. E.; Banner, R. P. Physical and Thermodynamic Properties of Pure Compounds: Data Compilation; Hemisphere: New York, 1989.
2. Donohue, M. C.; Prausnitz, J. M. Combinatorial Entropy of Mixing Molecules that Differ in Size and Shape. A Simple Approximation for Binary and Multicomponent Mixtures. Can. J. Chem. 1975, 53, 1586.
3. Elbro, H. S.; Fredenslund, Aa.; Rasmussen, P. A New Simple Equation for the Prediction of Solvent Activities in Polymer Solutions. Macromolecules 1990, 23, 4707.
4. Elbro, H. S.; Fredenslund, Aa.; Rasmussen, P. Group-Contribution Method for the Prediction of Liquid Densities as a Function of Temperature for Solvents, Oligomers and Polymers. Ind. Eng. Chem. Res. 1991, 30, 2576.
5. Fredenslund, Aa.; Jones, R. L.; Prausnitz, J. M. Group-Contribution Estimation of Activity Coefficients in Nonideal Mixtures. AIChE J. 1975, 21, 1086.
6. Gmehling, J.; Li, J.; Schiller, M. A Modified UNIFAC Model. 2. Present Parameter Matrix and Results for Different Thermodynamic Properties. Ind. Eng. Chem. Res. 1993, 32, 178.
7. Hansen, H. K.; Rasmussen, P.; Fredenslund, Aa.; Schiller, M.; Gmehling, J. Vapor-Liquid Equilibria by UNIPAC Group Contribution. 5. Revision and Extension. Ind. Eng. Chem. Res. 1991, 30, 2352.
8. Hradetzky, M. W.; Vopel, H.; Bittrich, H.-J. Measurement of Activity Coefficients in Highly Dilute Solutions. Part I. Fluid Phase Equilib. 1990, 54, 133.
9. Kikic, I.; Alessi, P.; Rasmussen, P.; Fredenslund, Aa. On the Combinatorial Part of the UNIFAC and UNIQUAC Models. Can. J. Chem. Eng. 1980, 58, 253.
10. Kontogeorgis, G. M.; Coutsikos, Ph.; Tassios, D. P.; Fredenslund, Aa. Improved Models for the Prediction of Activity Coefficients in Nearly Athermal Mixtures. Fluid Phase Equilib. 1994, 92, 35.
11. Larsen, B. L.; Rasmussen, P.; Fredenslund, Aa. A Modified UNIFAC Group-Contribution Model for Prediction of Phase Equilibria and Heats of Mixing. Ind. Eng. Chem. Res. 1987, 26, 2274.
12. McAuliffe, C. Solubility in Water of Paraffin, Cycloparaffin, Olefin, Acetylene, Cycloolefin and Aromatic Hydrocarbons. J. Phys. Chem. 1966, 70, 1267.
13. 10 Alkane Hydrocarbons. Science 1969, 163, 478.
14. Nagata, I.; Koyabu, J. Phase Equilibria by Effective UNIFAC Group-Contribution Method. Thermochim. Acta 1981, 48, 187.
15. Oishi, T.; Prausnitz, J. M. Estimation of Solvent Activities in Polymer Solutions Using a Group-Contribution Method. Ind. Eng. Chem. Process Des. Dev. 1978, 17, 333.
16. 36 n-Alkane Solvents. J. Chem. Eng. Data 1975, 20 (2), 145.
17. Pierotti, G. J.; Deal, C. H.; Derr, E. L. Activity Coefficients and Molecular Structure. Ind. Eng. Chem. 1959, 51, 95 (Supplement).
18. Tiegs, D.; Gmehling, J.; Medina, A.; Soares, M.; Bastos, J.; Alessi, P.; Kikic, I. Activity Coefficients at Infinite Dilution; DECHEMA Chemistry Data Series; DECHEMA: Frankfurt, 1986; Vol. IX, Part 1.
19. Voutsas, E. C.; Tassios, D. P. Prediction of Infinite Dilution Activity Coefficients in Binary Mixtures with UNIFAC. A Critical Evaluation. Ind. Eng. Chem. Res. 1996, 35, 1438.
20. Voutsas, E. C.; Kalospiros, N. S.; Tassios, D. P. A Combinatorial Activity Coefficient Model for Symmetric and Asymmetric Mixtures. Fluid Phase Equilib. 1995, 109, 1.
21. ∞. Ind. Eng. Chem. Res. 1987, 26, 1372.