A simultaneous method for two- and three-liquid-phase stability determination

AIChE Journal

Volumn 50, Issue 10, 2004, Pages 2571-2582

  Guo, Minqiang ^a   Wang, Shuqing ^a   Repke, Jens Uwe ^b   Wozny, Günter ^b  

^a STATE KEY LABORATORY OF INDUSTRIAL CONTROL TECHNOLOGY   (China)

^b TECHNISCHE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Graphical techniques; Optimization; Stability; Ternary mixture; Three liquid phase

Indexed keywords

GIBBS FREE ENERGY; MATHEMATICAL MODELS; THERMODYNAMICS;

ENERGY MINIMIZATION; LIQUID PHASE STABILITY; MULTIPHASE STABILITY; TERNARY MIXTURES;

TERNARY SYSTEMS;

STABILITY;

ANALYTIC METHOD; ARTICLE; CALCULATION; COMPUTER GRAPHICS; DRUG MIXTURE; GENERAL LINE LENGTH METHOD; GIBBS FREE ENERGY MINIMIZATION MODEL; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; MULTIPHASE STABILITY DETERMINATION; NRTL MODEL; PHASE TRANSITION; PROBLEM SOLVING; PROCESS OPTIMIZATION; THERMODYNAMICS; UNIQUAC MODEL;

EID: 4644318163     PISSN: 00011541     EISSN: None     Source Type: Journal    
DOI: 10.1002/aic.10256     Document Type: Article

References (47)

1. Baker, L. E., A. C. Pierce, and K. D. Luks, "Gibbs Energy Analysis of Phase Equilibria," Soc. Petrol. Eng. J., 22, 731 (1982).
2. Cairns, B. P., and I. A. Furzer, "Multicomponent Three-Phase Azeotropic Distillation. 2. Phase-Stability and Phase-Splitting Algorithms," Ind. Eng. Chem. Res., 29(7), 1364 (1990).
3. Eubank, P. T., A. E. Elhassan, M. A. Barrufet, and W. B. Whiting, "Area Method for Prediction of Fluid-Phase Equilibria," Ind. Eng. Chem. Res., 31(3), 942 (1992).
4. Francis, A. W., "Ternary Systems, with Three Separate Binodal Curves," J. Phys. Chem., 60(1), 20 (1956).
5. Gibbs, J. W., "A Method of Geometrical Representation of the Thermodynamic Properties of Substances by Means of Surfaces," Trans. Conn. Acad. Arts Sci., II, 382 (1873) [Reprinted in Scientific Papers of J. Willard Gibbs, Dover, New York, Vol. 1, pp. 33-54 (1961).]
6. Gibbs, J. W., "A Method of Geometrical Representation of the Thermodynamic Properties of Substances by Means of Surfaces," Trans. Conn. Acad. Arts Sci., II, 382 (1873) [Reprinted in Scientific Papers of J. Willard Gibbs, Dover, New York, Vol. 1, pp. 33-54 (1961).]
7. Gibbs, J. W., "On the Equilibrium of Heterogeneous Substances," Trans. Conn. Acad. Arts. Sci., III, 108 (1876) [Reprinted in Scientific Papers of J. Willard Gibbs, Dover, New York, Vol. 1, pp. 55-129, especially the section "Geometrical Illustrations," pp. 115-129 (1961).]
8. Gibbs, J. W., "On the Equilibrium of Heterogeneous Substances," Trans. Conn. Acad. Arts. Sci., III, 108 (1876) [Reprinted in Scientific Papers of J. Willard Gibbs, Dover, New York, Vol. 1, pp. 55-129, especially the section "Geometrical Illustrations," pp. 115-129 (1961).]
9. Gibbs, J. W., "On the Equilibrium of Heterogeneous Substances," Trans. Conn. Acad. Arts. Sci., III, 108 (1876) [Reprinted in Scientific Papers of J. Willard Gibbs, Dover, New York, Vol. 1, pp. 55-129, especially the section "Geometrical Illustrations," pp. 115-129 (1961).]
10. Guo, M. Q., J. U. Repke, G. Wozny, and S. Q. Wang, "A New Robust Method for Determination of Multiphase Stability. 1. Basic Method for Ternary mixture with Two Liquid Phases," Comput. Chem. Eng., in preparation (2003a).
11. Guo, M. Q., J. U. Repke, G. Wozny, and S. Q. Wang, "A New Robust Method for Determination of Multiphase, Stability. 2. General Method for Ternary Mixture with Two Liquid Phases," Comput. Chem. Eng., in preparation (2003b).
12. Guo, M. Q., J. U. Repke, G. Wozny, and S. Q. Wang, "Rapid Phase Determination for Liquid-Liquid Equilibrium Calculations," ESAT 2003, Proc. of 20th European Symposium on Applied Thermodynamics, Oct. 8-12, 2003, Lahnstein, Germany, pp. 307-310 (2003c).
13. Gupta, A. K., P. R. Bishnoi, and N. Kalogerakis, "A Method for the Simultaneous Phase Equilibria and Stability Calculations for Multiphase Reacting and Non-Reacting Systems," Fluid Phase Equilibr., 63(1-2), 65 (1991).
14. Hua, J. Z., J. F. Brennecke, and M. A. Stadtherr, "Reliable Prediction of Phase Stability Using an Interval Newton Method," Fluid Phase Equilibr., 116(1-2), 52 (1996).
15. Hua, J. Z., J. F. Brennecke, and M. A. Stadtherr, "Enhanced Interval Analysis for Phase Stability: Cubic Equation of State Models," Ind. Eng. Chem. Res., 37(4), 1519 (1998a).
16. Hua, J. Z., J. F. Brennecke, and M. A. Stadtherr, "Reliable Computation of Phase Stability Using Interval Analysis: Cubic Equation of State Models," Comput. Chem. Eng., 22(9), 1207 (1998b).
17. Hua, J. Z., R. W. Maier, S. R. Tessier, J. F. Brennecke, and M. A. Stadtherr, "Interval Analysis for Thermodynamic Calculations in Process Design: A Novel and Completely Reliable Approach," Fluid Phase Equilibr., 158, 607 (1999).
18. Jiang, Y., G. R. Chapman, and W. R. Smith, "On the Geometry of Chemical Reaction and Phase Equilibria," Fluid Phase Equilibr., 118(1), 77 (1996).
19. Jiang, Y., W. R. Smith, and G. R. Chapman, "Global Optimality Conditions and Their Geometric Interpretation for the Chemical and Phase Equilibrium Problem," SIAM J. Optim., 5(4), 813 (1995).
20. Kingsley, J. P., and A. Lucia, "Equilibrium Flash Calculations When the Number of Phases Present Is Unknown," Modeling and Simulation in Engineering, B. Wahlstrom and K. Leiviska, eds., Elsevier Science Publishers, Amsterdam, pp. 147-152 (1986).
21. Kingsley, J. P., and A. Lucia, "Simulation and Optimization of Three-Phase Distillation Processes," Ind. Eng. Chem. Res., 27(10), 1900 (1988).
22. Lucia, A., L. Padmanabhan, and S. Venkataraman, "Multiphase Equilibrium Flash Calculations," Comput. Chem. Eng., 24(12), 2557 (2000).
23. McDonald, C. M., and C. A. Floudas, "Global Optimization for the Phase Stability Problem," AIChE J., 41(7), 1798 (1995a).
24. McDonald, C. M., and C. A. Floudas, "Global Optimization for the Phase and Chemical Equilibrium Problem: Application to the NRTL Equation," Comput. Chem. Eng., 19(11), 1111 (1995b).
25. McDonald, C. M., and C. A. Floudas, "Global Optimization and Analysis for the Gibbs Free Energy Function Using the UNIFAC, Wilson, and ASOG Equations," Ind. Eng. Chem. Res., 34(5), 1674 (1995c).
26. McDonald, C. M., and C. A. Floudas, "GLOPEQ: A New Computational Tool for the Phase and Chemical Equilibrium Problem," Comput. Chem. Eng., 21(1), 1 (1997).
27. Michelsen, M. L., "The Isothermal Flash Problem. Part I: Stability," Fluid Phase Equilibr., 9(1), 1 (1982a).
28. Michelsen, M. L., "The Isothermal Flash Problem. Part II: Phase-Split Calculation," Fluid Phase Equilibr., 9(1), 21 (1982b).
29. Nagarajan, N. R., A. S. Cullick, and A. Griewank, "New Strategy for Phase-Equilibrium and Critical-Point Calculations by Thermodynamic Energy Analysis. 1. Stability Analysis and Flash," Fluid Phase Equilibr., 62(3), 191 (1991a).
30. Nagarajan, N. R., A. S. Cullick, and A. Griewank, "New Strategy for Phase-Equilibrium and Critical-Point Calculations by Thermodynamic Energy Analysis. 2. Critical-Point Calculations," Fluid Phase Equilibr., 62(3), 211 (1991b).
31. Negahban, S., G. P. Willhite, S. W. Walas, and M. J. Michnick, "Three-Liquid-Phase Equilibria of Ternary and Quaternary Mixtures, Water/n-Decane/2-Butyloxyethanol and Water/n-Octane/1-Propanol-Sodium Chloride: Experimental Measurements and Their Correlation," Fluid Phase Equilibr., 32, 49 (1986).
32. Nichita, D. V., S. Gomez, and E. Lunna, "Multiphase Equilibria Calculation by Direct Minimization of Gibbs Free Energy with a Global Optimization Method," Comput. Chem. Eng., 26(12), 1703 (2002a).
33. Nichita, D. V., S. Gomez, and E. Lunna, "Phase Stability Analysis with Cubic Equations of State by Using a Global Optimization Method," Fluid Phase Equilibr., 194(Special Issue), 411 (2002b).
34. Rangaiah, G. P., "Evaluation of Genetic Algorithms and Simulated Annealing for Phase Equilibrium and Stability Problems," Fluid Phase Equilibr., 187-188, 83 (2001).
35. Reid, R. C., J. M. Prausnitz, and B. E. Poling, The Properties of Gases and Liquids, 4th Edition, McGraw-Hill, New York (1987).
36. Smith, J. V., R. W. Missen, and W. R. Smith, "General Optimality Criteria for Multiphase Multireaction Chemical Equilibrium," AlChE J., 39(4), 707 (1993).
37. Sorensen, J. M., and W. Arlt, Liquid-Liquid Equilibrium Data Collection, DECHEMA Chemistry Data Series, DECHEMA, Frankfurt, Germany, Vol. 5, Parts 2-4 (1979-1987).
38. Sridhar, L. N., and M. Torres, "The Three-Liquid Phase Nonequilibrium Problem," Chem. Eng. Commun., 172, 1 (1999).
39. Stateva, R. P., G. S. Cholakov, A. A. Galushko, and W. A. Wakeham, "A Powerful Algorithm for Liquid-Liquid-Liquid Equilibria Predictions and, Calculations," Chem. Eng. Sci., 55(11), 2121 (2000).
40. Sun, A. C., and W. D. Seider, "Homotopy-Continuation Method for Stability Analysis in the Global Minimization of the Gibbs Free Energy," Fluid Phase Equilibr., 103, 213 (1995).
41. Trangenstein, J. A., "Customized Minimization Techniques for Phase Equilibrium Computations in Reservoir Simulation," Chem. Eng. Sci., 42(12), 2847 (1987).
42. Walas, S. M., Phase Equilibria in Chemical Engineering, Butterworth, Stoneham, MA, p. 376 (1985).
43. Wasylkiewicz, S. K., L. N. Sridhar, M. F. Doherty, and M. F. Malone, "Global Stability Analysis and Calculation of Liquid-Liquid Equilibrium in Multicomponent Mixtures," Ind. Eng. Chem. Res., 35(4), 1395 (1996).
44. Whitson, C. H., and M. L. Michelsen, "The Negative Flash," Fluid Phase Equilibr., 53(Special Issue), 51 (1989).
45. Zhu, Y. S., H. Wen, and Z. H. Xu, "Global Stability Analysis and Phase Equilibrium Calculations at High Pressures Using the Enhanced Simulated Annealing Algorithm," Chem. Eng. Sci. 55(17), 3451 (2000).
46. Zhu, Y. S., and Z. H. Xu, "A Reliable Prediction of the Global Phase Stability for Liquid-Liquid Equilibrium through the Simulated Annealing Algorithm: Application to NRTL and UNIQUAC Equations," Fluid Phase Equilibr., 154, 55 (1999a).
47. Zhu, Y. S., and Z. H. Xu, "Calculation of Liquid-Liquid Equilibrium Based on the Global Stability Analysis for Ternary Mixtures by Using a Novel Branch and Bound Algorithm: Application to UNIQUAC Equation," Ind. Eng. Chem. Res., 38(9), 3549 (1999b).