Computer simulations of liquid/vapor interface in Lennard-Jones fluids: Some questions and answers

Journal of Chemical Physics

Volumn 111, Issue 18, 1999, Pages 8510-8523

  Trokhymchuk, Andrij ^a,c   Alejandre, José ^b,d  

^a Instituto de Quimica de la UNAM   (Mexico)

^b DEPARTAMENTO DE QUÍMICA   (Mexico)

^c INSTITUTE FOR CONDENSED MATTER PHYSICS   (Ukraine)

^d INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000415550     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480192     Document Type: Article

References (65)

1. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
2. D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic, New York, 1996).
3. K. S. Liu, J. Chem. Phys. 60, 4226 (1974).
4. J. K. Lee, J. A. Barker, and G. M. Pound, J. Chem. Phys. 60, 1976 (1974).
5. G. A. Chapela, G. Saville, and J. S. Rowlinson, Faraday Discuss. Chem. Soc. 59, 22 (1975).
6. J. Miyazaki, J. A. Barker, and G. M. Pound, J. Chem. Phys. 64, 3364 (1976).
7. M. Rao and D. Levesque, J. Chem. Phys. 65, 3233 (1976).
8. G. A. Chapela, G. Saville, S. M. Thompson, and J. S. Rowlinson, J. Chem. Soc., Faraday Trans. 2 73, 1133 (1977).
9. M. Rao and B. J. Berne, Mol. Phys. 37, 455 (1979).
10. J. P. R. B. Walton, D. J. Tildesley, and J. S. Rowlinson, Mol. Phys. 48, 1357 (1983).
11. M. Matsumoto and J. Kataoka, J. Chem. Phys. 88, 3233 (1988).
12. M. J. P. Nijmeijer, A. F. Bakker, C. Bruin, and J. H. Sikkenk, J. Chem. Phys. 89, 3789 (1988).
13. E. Salomons and M. Mareschal, J. Phys.: Condens. Matter 3, 3645 (1991).
14. C. D. Holcomb, P. Clancy, S. M. Thompson, and J. A. Zollweg, Fluid Phase Equilibria 75, 185 (1992).
15. C. D. Holcomb, P. Clancy, and J. A. Zollweg, Mol. Phys. 78, 437 (1993).
16. L. J. Chen, J. Chem. Phys. 103, 10214 (1995).
17. M. Guo and B. C. Y. Lu, J. Chem. Phys. 106, 3688 (1997).
18. M. Mecke, J. Winkelmann, and J. Fischer, J. Chem. Phys. 107, 9264 (1997).
19. A. Lotfi, J. Vrabec, and J. Fischer, Mol. Simul. 5, 233 (1990).
20. M. J. Haye and C. Bruin, J. Chem. Phys. 100, 556 (1994).
21. E. M. Blokhuis, D. Bedeaux, C. D. Holcomb, and J. A. Zollweg, Mol. Phys. 85, 665 (1995).
22. P. Adams and J. R. Henderson, Mol. Phys. 73, 1383 (1991).
23. D. J. Lee, M. M. Telo da Gama, and K. E. Gubbins, Mol. Phys. 53, 1113 (1984).
24. M. Meyer, M. Mareschal, and M. Hayoun, J. Chem. Phys. 89, 1067 (1988).
25. S. Toxvaerd, Mol. Phys. 76, 1397 (1992).
26. J. Stecki and S. Toxvaerd, J. Chem. Phys. 102, 7163 (1995); 103, 4352 (1995).
27. J. Stecki and S. Toxvaerd, J. Chem. Phys. 102, 7163 (1995); 103, 4352 (1995).
28. E. Diaz-Herrera, J. Alejandre, C. Ramirez-Santiago, and F. Forstmann, J. Chem. Phys. 110, 8084 (1999).
29. M. Matsumoto and Y. Kataoka, J. Chem. Phys. 88, 3233 (1988).
30. M. A. Wilson, A. Pohorille, and L. R. Pratt, J. Chem. Phys. 88, 3281 (1988).
31. I. Benjamin and A. Pohorille, J. Chem. Phys. 98, 236 (1993).
32. J. Alejandre, D. J. Tildesley, and G. A. Chapela, J. Chem. Phys. 102, 4574 (1995).
33. M. Matsumoto and Y. Kataoka, J. Chem. Phys. 90, 2398 (1989).
34. J. G. Harris, J. Phys. Chem. 96, 5077 (1992).
35. A. Hariharan and J. G. Harris, J. Chem. Phys. 101, 4156 (1994).
36. B. Smit, S. Karaborni, and J. I. Siepmann, J. Chem. Phys. 102, 2126 (1995).
37. J. Alejandre, D. J. Tildesley, and G. A. Chapela, Mol. Phys. 85, 651 (1995).
38. P. Linse, J. Chem. Phys. 86, 4177 (1987).
39. I. Benjamin, J. Chem. Phys. 97, 1432 (1992).
40. D. Michael and I. Benjamin, J. Phys. Chem. 99, 1530 (1995).
41. Y. Zhang, S. E. Feller, B. R. Brooks, and R. W. Pastor, J. Chem. Phys. 103, 10252 (1995).
42. M. Tarek, D. J. Tobias, and M. L. Klein, Physica A 231, 117 (1996).
43. M. A. Wilson and A. Pohorille, J. Am. Chem. Soc. 116, 1490 (1994).
44. S. E. Feller, Y. Zhang, and R. W. Pastor, J. Chem. Phys. 103, 10267 (1995).
45. E. Spohr, J. Chem. Phys. 107, 6342 (1997).
46. J. G. Kirkwood and F. P. Buff, J. Chem. Phys. 17, 338 (1949).
47. I. R. McDonald and K. Singer, Mol. Phys. 23, 29 (1972).
48. S. H. Sung and D. Chandler, Phys. Rev. A 9, 1688 (1974).
49. B. Smit and D. Frenkel, J. Chem. Phys. 94, 5663 (1991).
50. B. Smit, J. Chem. Phys. 96, 8639 (1992).
51. A. Z. Panagiotopoulos, Mol. Phys. 61, 813 (1987).
52. A. Z. Panagiotopoulos, N. Quirke, M. Stapleton, and D. J. Tildesley, Mol. Phys. 63, 527 (1988).
53. G. A. Korn and T. M. Korn, Mathematical Handbook for Scientists and Engineers (McGraw-Hill, New York, 1961).
54. J. G. Powles, Physica A 126, 289 (1984).
55. J. J. Nicolas, K. E. Gubbins, W. B. Street, and D. J. Tildesley, Mol. Phys. 37, 1429 (1979).
56. J. E. Finn and P. A. Monson, Phys. Rev. A 39, 6402 (1989); 42, 2458 (1990).
57. J. E. Finn and P. A. Monson, Phys. Rev. A 39, 6402 (1989); 42, 2458 (1990).
58. A. Z. Panagiotopoulos, Int. J. Thermophys. 15, 1057 (1994).
59. N. B. Wilding, Phys. Rev. E 52, 602 (1995).
60. F. Wegner, Phys. Rev. B 5, 4529 (1972).
61. J. V. Sengers and J. M. H. Levelt-Sengers, Progress in Liquid Physics, edited by C. A. Croxton (Wiley, Chichester, 1978), Chap. 4, pp. 103-174.
62. L. Vega, E. de Miguel, L. F. Rull, G. Jackson, and I. A. McLure, J. Chem. Phys. 96, 2296 (1992).
63. A. Lotfi, J. Vrabec, and J. Fischer, Mol. Phys. 76, 1319 (1992).
64. D. J. Adams, Mol. Phys. 37, 211 (1979).
65. E. A. Guggenheim, J. Chem. Phys. 13, 253 (1945).