Gibbs ensemble simulations of vapour—liquid phase equilibria of cyclic alkanes

Molecular Physics

Volumn 97, Issue 6, 1999, Pages 769-776

  Neubauer, B ^a   Boutin, A ^b   Tavitian, B ^a   Fuchs, A H ^b  

^a IFP ENERGIES NOUVELLES   (France)

^b UNIVERSITÉ PARIS SUD   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000851919     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979909482877     Document Type: Article

References (38)

1. Pedersen, K. S., Fredenslund, Aa., and Thomassen, P., 1989. Properties of Oils and Natural Gases Houston:Gulf Publishing Company.
2. Sportisse, M., 1996. Doctoral dissertation, Université de la Mediterranée Aix-Marseille II.
3. Frenkel, D., Mooij, G. C. A., and Smit, B., 1992. J. Phys. condensed Matter, 4:3053
4. Siepmann, J. I., and Frenkel, D., 1992. Molec. Phys., 75:59
5. Siepmann, J. I., Karaborni, S., and Smit, B., 1993. Nature, 365:330
6. Smit, B., Karaborni, S., and Siepmann, J. I., 1995. J. chem. Phys., 102:2126
7. Siepmann, J. I., Martin, M. G., Mundy, C. J., and Klein, M. L., 1997. Molec. Phys., 90:687
8. Martin, M. G., and Siepmann, J. I., 1998. J. phys. Chem. B, 102:2570
9. Mackie, A. D., Tavitian, B., Boutin, A., and Fuchs, A. H., 1997. Molec. Simulation, 19:1
10. Martin, M. G., and Siepmann, J. I., 1998. Theoret. Chem. Acc., 99:347
11. Ryckaert, J. P., and Bellemans, A., 1978. Faraday Discuss, chem. Soc., 66:95
12. Jorgensen, W. L., Madura, J. D., and Swenson, C. J., 1984. J. Amer. chem. Soc., 106:6638
13. Jorgensen, W. L., and Tirado-Rives, J., 1988. J. Amer. chem. Soc., 110:1657
14. Nath, S. K., Escobedo, F. A., and De Pablo, J. J., 1998. J. chem. Phys., 108:9905
15. Harris, J. G., and Stillinger, F. H., 1991. J. chem. Phys., 95:5953
16. Cardini, G., 1995. Chem. Phys., 193:101
17. Frenkel, D., and Smit, B., 1996. Understanding Molecular Simulation San Diego:Academic Press.
18. Metropolis, N., Metropolis, A. W., Rosenbluth, M. N., Teller, A. N., and Teller, E., 1953. J. chem. Phys., 21:1087
19. McDonald, I. R., 1972. Molec. Phys., 23:41
20. Panagiotopoulos, A. Z., 1987. Molec. Phys., 61:813
21. Panagiotopoulos, A. Z., Quirke, N., Stapleton, M., and Tildesley, D. J., 1988. Molec. Phys., 63:527
22. Delhommelle, J., Boutin, A., Mackie, A. D., and Fuchs, A. H., 1999. Molec. Phys., 96:1517
23. Van der Ploeg, P., and Berendsen, H. J. C., 1982. J. chem. Phys., 76:3271
24. Yamakawa, H., 1971. Modern Theory of Polymer Solutions New York:Harper and Row.
25. Escobedo, F. A., and De Pablo, J. J., 1995. J. chem. Phys., 102:2636
26. Baumgaertner, A., and Binder, K., 1979. J. chem. Phys., 71:2541
27. Pertsin, A. J., Hahn, J., and Grossmann, H. P., 1994. J. comput. Chem., 15:1121
28. Cracknell, R. F., Nicholson, D., and Parsonage, N. G., 1990. Molec. Phys., 71:931
29. Rowlinson, J. S., and Swinton, F. L., 1982. Liquids and Liquid Mixtures London:Butterworth.
30. Rowlinson, J. S., and Widom, B., 1982. Molecular Theory of Capillarity Oxford:Clarendon Press.
31. Stillinger, F. H., and Weber, T. A., 1983. Phys. Rev. A, 28:2408
32. LaViolette, R. A., and Stillinger, F. H., 1985. J. chem. Phys., 83:4079
33. Williams, D. E., 1967. J. chem. Phys., 47:4680
34. Allinger, N. L., Chen, K., and Lii, J.-H., 1996. J. comput. Chem., 17:5 6, 642.
35. Anet, F. A. L., and Bourn, A. J. R., 1967. J. Amer. chem. Soc., 89:760
36. Dorofeeva, O. V., Mastryukov, V. S., Allinger, N. L., and Almenningen, A., 1985. J. chem. Phys., 89:252
37. Brown, S., and Szamel, G., 1998. J. chem. Phys., 109:6184
38. Neubauer, B., Tavitian, B., Boutin, A., and Ungerer, P., 1999. Fluid Phase Equilibria, 161:45