A Modified UNIFAC Model. 2. Present Parameter Matrix and Results for Different Thermodynamic Properties

Industrial and Engineering Chemistry Research

Volumn 32, Issue 1, 1993, Pages 178-193

  Gmehling, Jürgen ^a   Li, Jiding ^a   Schiller, Martin ^a  

^a UNIVERSITY OF OLDENBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL ENGINEERING; COMPUTATIONAL METHODS; DATABASE SYSTEMS; LIQUIDS; MATHEMATICAL MODELS; MOLECULAR STRUCTURE; PROCESS ENGINEERING; SEPARATION; THERMAL EFFECTS; THERMODYNAMIC PROPERTIES; VAPORS;

DORTMUND DATA BANK; GROUP CONTRIBUTION METHODS; MODIFIED UNIFAC MODEL;

PHASE EQUILIBRIA;

MODELLING-COMPUTER; SEPARATION; THERMODYNAMICS;

EID: 0027133251     PISSN: 08885885     EISSN: 15205045     Source Type: Journal    
DOI: 10.1021/ie00013a024     Document Type: Article

References (21)

1. Derr, E. L.; Deal, C. H. Analytical Solutions of Groups. Correlation of Activity Coefficients through Structural Group Parameters. Inst. Chem. Eng. Symp. Ser. (London) 1969, No. 32, 3:40–51.
2. Fredenslund, Aa.; Jones, R. L.; Prausnitz, J. M. Group-Contribution Estimation of Activity Coefficients in Nonideal Liquid Mixtures. AIChE J. 1975, 21, 1086–1099.
3. Fredenslund, Aa.; Gmehling, J.; Rasmussen, P. Vapor-Liquid Equilibria Using UNIFAC; Elsevier: Amsterdam, 1977.
4. Gmehling, J. Dortmund Data Bank-Basis for the Development of Prediction Methods. CODATA Bulletin 58; Pergamon Press: Oxford, U.K., 1985; pp 56–64.
5. Gmehling, J. Development of Thermodynamic Models with a View to the Synthesis and Design of Separation Processes. In Software Development in Chemistry 5; Gmehling, J., Ed.; Springer-Verlag: Berlin, 1991; pp 1–14.
6. Gmehling, J.; Meente, B. Int. Data Ser., Sel. Data Mixtures 1992, Ser. A, 144–213.
7. Gmehling, J.; Onken, U.; Arlt, W.; Grenzheuser, P.; Kolbe, B.; Rarey, J. R.; Weidlich, U. Vapor-Liquid Equilibrium Data Collection; DECHEMA Chemistry Data Series, Vol. I, 16 Parts; DECHEMA: Frankfurt, 1977.
8. Gmehling, J.; Christensen, C.; Holderbaum, Th.; Rasmussen, P.; Weidlich, U. Heats of Mixing Data Collection; DECHEMA Chemistry Data Series, Vol. III, 4 Parts; DECHEMA: Frankfurt, 1984.
9. Gmehling, J.; Tiegs, D.; Knipp, U. A Comparison of the Predictive Capability of Different Group Contribution Methods. Fluid Phase Equilib. 1990, 54, 147–165; 1990, 59, 337–338 (correction).
10. Hansen, H. K.; Rasmussen, P.; Fredenslund, Aa.; Schiller, M.; Gmehling, J. Vapor-Liquid Equilibria by UNIFAC Group Contribution. 5. Revision and Extension. Ind. Eng. Chem. Res. 1991, 30, 2352–2355.
11. Kojima, K.; Tochigi, K. Prediction of Vapor-Liquid Equilibria by the ASOG Method; Kodansha-Elsevier: Tokyo, 1979.
12. Larsen, B. L.; Rasmussen, P.; Fredenslund, Aa. A Modified UNIFAC Group-Contribution Model for the Prediction of Phase Equilibria and Heats of Mixing. Ind. Eng. Chem. Res. 1987, 26, 2274–2286.
13. Marquardt, D. W. An Algorithm for Least Square Estimation of Nonlinear Parameters. J. Soc. Ind. Appl. Math. 1963, 11, 431.
14. Meyer, Th.; Gmehling, J. Chem.-Ing.-Tech. 1991, 63, 486–488.
15. Neider, J. A.; Mead, R. A Simplex Method for Function Minimization. Comput. J. 1965, 7, 308–313.
16. Schiller, M. Ph.D. Dissertation, University of Dortmund, 1992 (submitted for publication).
17. Schiller, M.; Li, J.; Gmehling, J. Ind. Eng. Chem. Res. 1992, manuscript in preparation.
18. Sørensen, J. M.; Arlt, W. Liquid-Liquid Equilibrium Data Collection; DECHEMA Chemistry Data Series, Vol. V, 3 Parts; DECHEMA: Frankfurt, 1979–80.
19. Tiegs, D.; Gmehling, J.; Medina, A.; Soares, M.; Bastos, J.; Alessi, P.; Kikic, I. Activity Coefficients at Infinite Dilution; DECHEMA Chemistry Data Series, Vol. IX, 2 Parts; DECHEMA: Frankfurt, 1986.
20. Tochigi, K.; Tiegs, D.; Gmehling, J.; Kojima, K. Determination of New ASOG Parameters. J. Chem. Eng. Jpn. 1990, 23, 453–463.
21. ∞. Ind. Eng. Chem. Res. 1987, 26, 1372–1381.