Enhanced Interval Analysis for Phase Stability: Cubic Equation of State Models

Industrial and Engineering Chemistry Research

Volumn 37, Issue 4, 1998, Pages 1519-1527

  Hua, James Z ^a,c   Brennecke, Joan F ^b   Stadtherr, Mark A ^b  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b UNIVERSITY OF NOTRE DAME   (United States)

^c Shell Chemical Co   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; CONVERGENCE OF NUMERICAL METHODS; FUNCTION EVALUATION; MATHEMATICAL MODELS; PROBLEM SOLVING;

PHASE STABILITY;

PHASE EQUILIBRIA;

EID: 0032046921     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie970535+     Document Type: Article

References (33)

1. Baker, L. E.; Pierce, A. C.; Luks, K. D. Gibbs energy analysis of phase equilibria. Soc. Petrol. Eng. J. 1982, 22, 731-742.
2. Balaji, G. V.; Seader, J. D. Application of interval-Newton method to chemical engineering problems. AIChE Symp. Ser. 1995, 91 (304), 364-367.
3. Eubank, A. C.; Elhassan, A. E.; Barrufet, M. A.; Whiting, W. B. Area method for prediction of fluid-phase equilibria. Ind. Eng. Chem. Res. 1992, 31, 942-949.
4. Green, K. A.; Zhou, S.; Luks, K. D. The fractal response of robust solution techniques to the stationary point problem. Fluid Phase Equilib. 1993, 84, 49-78.
5. Hansen, E. R. Global Optimization Using Interval Analysis; Marcel Dekker, Inc.: New York, 1992.
6. Hua, J. Z.; Brennecke, J. F.; Stadtherr, M. A. Reliable prediction of phase stability using an interval-Newton method. Fluid Phase Equilib. 1996a, 116, 52-59.
7. Hua, J. Z.; Brennecke, J. F.; Stadtherr, M. A. Reliable phase stability analysis for cubic equation of state models. Comput. Chem. Eng. 1996b, 20, S395-S400.
8. Hua, J. Z.; Brennecke, J. F.; Stadtherr, M. A. Combined local and global approach to reliable computation of phase equilibria. Presented at AIChE Annual Meeting, Los Angeles, CA, Nov 1997; Paper 80b.
9. Hytoft, G.; Gani, R. IVC-SEP Program Package; Technical Report SEP 8623; Institut for Kemiteknik, Danmarks Tekniske Universitet: Lyngby, Denmark, 1996.
10. Kearfott, R. B. Rigorous Global Search: Continuous Problems; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1996.
11. Kearfott, R. B.; Novoa, M. Algorithm 681: INTBIS, A portable interval Newton/bisection package. ACM Trans. Math. Software 1990, 16, 152-157.
12. Kearfott, R. B.; Dawande, M.; Du, K.-S.; Hu, C.-Y. Algorithm 737: INTLIB, A portable FORTRAN 77 interval standard function library. ACM Trans. Math. Software 1994, 20, 447-459.
13. McDonald, C. M.; Floudas, C. A. Global optimization for the phase stability problem. AIChE J. 1995a, 41, 1798-1814.
14. McDonald, C. M.; Floudas, C. A. Global optimization for the phase and chemical equilibrium problem: Application to the NRTL equation. Comput. Chem. Eng. 1995b, 19, 1111-1139.
15. McDonald, C. M.; Floudas, C. A. Global optimization and analysis for the Gibbs free energy function using the UNIFAC, Wilson, and ASOG Equations. Ind. Eng. Chem. Res. 1995c, 34, 1674-1687.
16. McDonald, C. M.; Floudas, C. A. GLOPEQ: A new computational tool for the phase and chemical equilibrium problem. Comput. Chem. Eng. 1997, 21, 1-23.
17. McKinnon, K. I. M.; Millar, C. G.; Mongeau, M. Global optimization for the chemical and phase equilibrium problem using interval analysis. In State of the Art in Global Optimization: Computational Methods and Applications; Floudas, C. A., Pardalos, P. M., Eds.; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1996; pp 365-382.
18. Michelsen, M. L. The isothermal flash problem. Part I: Stability. Fluid Phase Equilib. 1982, 9, 1-19.
19. Moore, R. E. Interval Analysis; Prentice-Hall: Englewood Cliffs, NJ, 1966.
20. Nagarajan, N. R.; Cullick, A. S.; Griewank, A. New strategy for phase equilibrium and critical point calculations by thermodynamic energy analysis. Part I. Stability analysis and flash. Fluid Phase Equilib. 1991, 62, 191-210.
21. Neumaier, A. Interval Methods for Systems of Equations; Cambridge University Press: Cambridge, England, 1990.
22. Prausnitz, J. M.; Lichtenthaler, R. N.; Gomes de Azevedo, E. Molecular Thermodynamics of Fluid-Phase Equilibria; Prentice-Hall: Englewood Cliffs, NJ, 1986.
23. Ratschek, H.; Rokne, J. Computer Methods for the Range of Functions; Halsted Press: New York, 1984.
24. Reid, R. C.; Prausnitz, J. M.; Poling, B. E. The Properties of Gases and Liquids; McGraw-Hill: New York, 1987.
25. Rokne, J. G. Low complexity k-dimensional centered forms. Computing 1986, 37, 247-253.
26. Rump, S. M. Algorithm for verified inclusions-theory and practice. In Reliability in Computing; Moore, R. E., Ed.; Academic Press: San Diego, 1988; pp 109-126.
27. Schnepper, C. A.; Stadtherr, M. A. On using parallel processing techniques in chemical process design. Presented at AIChE Annual Meeting, Chicago, Nov, 1990.
28. Schnepper, C. A.; Stadtherr, M. A. Robust process simulation using interval methods. Comput. Chem. Eng. 1996, 20, 187-199.
29. Stadtherr, M. A.; Schnepper, C. A.; Brennecke, J. F. Robust phase stability analysis using interval methods. AIChE Symp. Ser. 1995, 91 (304), 356-359.
30. Sun, A. C.; Seider, J. D. Homotopy-continuation method for stability analysis in the global minimization of the Gibbs free energy. Fluid Phase Equilib. 1995, 103, 213-249.
31. Tessier, S. R. Enhanced Interval Analysis for Phase Stability: Excess Gibbs Energy Models. Master's Thesis, University of Notre Dame, Notre Dame, IN, 1997.
32. van Konynenburg, P. H.; Scott, R. L. Critical lines and phase equilibria in binary van der Waals mixtures. Philos. Trans. R. Soc. London, Ser. A 1980, 298, 495-540.
33. Wasylkiewicz, S. K.; Sridhar, L. N.; Malone, M. F.; Doherty, M. F. Global stability analysis and calculation of liquid-liquid equilibrium in multicomponent mixtures. Ind. Eng. Chem. Res. 1996, 35, 1395-1408.