Solid-fluid equilibrium: New perspectives from molecular theory

Fluid Phase Equilibria

Volumn 117, Issue 1-2, 1996, Pages 114-125

  Cottin, X ^a   Paras, E P A ^a   Vega, C ^a   Monson, P A ^a  

^a University of Massachusetts   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; FLUIDS; FREE ENERGY; MATHEMATICAL MODELS; MIXTURES; MOLECULAR DYNAMICS; MOLECULES; PHASE DIAGRAMS; PHASE SEPARATION; SOLIDS; THERMODYNAMICS;

MOLECULAR MODELING; NONSPHERICAL MOLECULES; SOLID FLUID EQUILIBRIUM; SOLID PHASE THERMODYNAMICS;

PHASE EQUILIBRIA;

EID: 0041545412     PISSN: 03783812     EISSN: None     Source Type: Journal    
DOI: 10.1016/0378-3812(95)02944-3     Document Type: Review

References (65)

1. M. Lupkowski and P. A. Monson, J. Chem. Phys., 87, 3618 (1987); M. Lupkowski and P. A. Monson, Molec. Phys., 67, 53 (1989).
2. M. Lupkowski and P. A. Monson, J. Chem. Phys., 87, 3618 (1987); M. Lupkowski and P. A. Monson, Molec. Phys., 67, 53 (1989).
3. J. M. Prausnitz, R. N. Lichtenthaler and E. Gomes de Azevedo, Molecular Thermodynamics of Fluid-Phase Equilibria, 2nd Edition, Prentice-Hall, New York (1986).
4. J. A. Barker, Lattice Theories of the Liquid State, The Macmillan Company, New-York (1963).
5. J.-P. Hansen, and I. R. McDonald, Theory of Simple Liquids, Academic Press, New York (1986)
6. J. E. Lennard-Jones and A. F. Devonshire, Proc. Roy. Soc. (London), A163, 53 (1937).
7. J. E. Lennard-Jones and A. F. Devonshire, Proc. Roy. Soc. (London), A165, 1 (1938).
8. D. Henderson and J. A. Barker, Mol. Phys., 14, 587 (1968).
9. J.-P. Hansen, and L. Verlet, Phys. Rev., 184, 151 (1969).
10. W. G. Hoover and F. Ree, J. Chem. Phys., 49, 3609 (1968).
11. T. L. Hill, An Introduction to Statistical Thermodynamics, Dover, New York (1986).
12. X. Cottin and P. A. Monson, J. Chem. Phys., 99, 8914 (1993).
13. X. Cottin and P. A. Monson, J. Chem. Phys., 102, 3354 (1995).
14. R. Evans, in Fundamentals of Inhomogeneous Fluids, edited by D. Henderson, Dekker, New York (1992).
15. A. D. J. Haymet, in Fundamentals of Inhomogeneous Fluids, edited by D. Henderson, Dekker, New York (1992).
16. D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys., 85, 5971 (1986); D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys., 85, 5976; J. D. McCoy, S. J. Singer and D. Chandler, J. Chem. Phys., 87, 4853 (1987).
17. D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys., 85, 5971 (1986); D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys., 85, 5976; J. D. McCoy, S. J. Singer and D. Chandler, J. Chem. Phys., 87, 4853 (1987).
18. D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys., 85, 5971 (1986); D. Chandler, J. D. McCoy, and S. J. Singer, J. Chem. Phys., 85, 5976; J. D. McCoy, S. J. Singer and D. Chandler, J. Chem. Phys., 87, 4853 (1987).
19. S. J. Smithline, S. W. Rick, and A. D. J. Haymet, J. Chem. Phys., 88, 2004 (1988).
20. N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller and E. Teller, J. Chem. Phys., 21, 1087 (1953).
21. M. N. Rosenbluth and A. W. Rosenbluth, J. Chem. Phys., 22, 881 (1954).
22. B. J. Alder and T. Wainwright, J. Chem. Phys., 27, 1208 (1957).
23. W. W. Wood and J. D. Jacobsen, J. Chem. Phys., 27, 1207 (1957).
24. W. G. Hoover, S. C. Gray and K. Johnson, J. Chem. Phys., 55, 1128 (1971).
25. D. Frenkel and A. J. C. Ladd, J. Chem. Phys., 81, 3188 (1984).
26. E. J. Meijer, D. Frenkel, R. A. LeSar and A. J. C. Ladd, J. Chem. Phys., 92, 7570 (1990).
27. Frenkel, D. and Mulder, 1985, Molec. Phys., 55, 1171.
28. C. Vega, E. P. A. Paras and P. A. Monson, J. Chem. Phys., 96, 9060 (1992)
29. W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 679 (1991); W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 699 (1991); W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 715 (1991).
30. W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 679 (1991); W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 699 (1991); W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 715 (1991).
31. W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 679 (1991); W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 699 (1991); W. G. Kranendonk and D. Frenkel, Mol. Phys. 72, 715 (1991).
32. M. Parrinello and A. Rahman, Phys. Rev. Letters, 45, 1196 (1980).
33. W. Hume-Rothery, R. E. Smallman and C. W. Haworth, The Structure of Metals and Alloys, The Institute of Metals, London (1988).
34. P. Najfabadi and S. Yip, Scr. Metall., 17, 1199 (1983).
35. S. Yashoneth and C. N. R. Rao, Mol. Phys., 54, 245 (1985).
36. D. Kofke, Mol. Simul. 7, 285 (1991).
37. D. Kofke, J. Chem. Phys., 98, 4149 (1993);
38. R. Agrawal and D. A. Kofke, Mol. Phys., in press (1995).
39. S. J. Smithline and A. D. J. Haymet, J. Chem. Phys., 86, 6486 (1987); S. W. Rick and A. D. J. Haymet, J. Chem. Phys., 90, 1188 (1989).
40. S. J. Smithline and A. D. J. Haymet, J. Chem. Phys., 86, 6486 (1987); S. W. Rick and A. D. J. Haymet, J. Chem. Phys., 90, 1188 (1989).
41. J. L. Barrat, M. Baus and J. P. Hansen, J. Phys. C : Solid State Phys., 20, 1413 (1987).
42. A. R. Denton and N. W. Ashcroft, Phys. Rev. A, 42,7312 (1990).
43. X. C. Zeng and D. W. Oxtoby, J. Chem. Phys., 93, 2692 (1990); X. C. Zeng and D. W. Oxtoby, J. Chem. Phys., 93, 4357 (1990).
44. X. C. Zeng and D. W. Oxtoby, J. Chem. Phys., 93, 2692 (1990); X. C. Zeng and D. W. Oxtoby, J. Chem. Phys., 93, 4357 (1990).
45. M. D. Eldridge, P. A. Madden and D. Frenkel, Mol. Phys., 80, 987 (1993); M. D. Eldridge, P. A. Madden and D. Frenkel, Mol. Phys., 79, 105 (1993); M. D. Eldridge, P. A. Madden and D. Frenkel, Nature, 365, 35 (1993).
46. M. D. Eldridge, P. A. Madden and D. Frenkel, Mol. Phys., 80, 987 (1993); M. D. Eldridge, P. A. Madden and D. Frenkel, Mol. Phys., 79, 105 (1993); M. D. Eldridge, P. A. Madden and D. Frenkel, Nature, 365, 35 (1993).
47. M. D. Eldridge, P. A. Madden and D. Frenkel, Mol. Phys., 80, 987 (1993); M. D. Eldridge, P. A. Madden and D. Frenkel, Mol. Phys., 79, 105 (1993); M. D. Eldridge, P. A. Madden and D. Frenkel, Nature, 365, 35 (1993).
48. H. C. Longuet-Higgins and B. Widom, Mol. Phys., 8, 549 (1964).
49. G. A. Mansoori, N. F. Carnaham, K. E. Starling and T. W. Leland, J. Chem. Phys., 54, 1523 (1971).
50. J. V. Sanders, Phil. Mag. A, 42, 705 (1980); M. J. Murray and J. V. Sanders, Phil. Mag. A, 42, 721 (1980).
51. J. V. Sanders, Phil. Mag. A, 42, 705 (1980); M. J. Murray and J. V. Sanders, Phil. Mag. A, 42, 721 (1980).
52. P. Bartlett and R. H. Ottewill, J. Chem. Phys., 93, 1299 (1990); P. Bartlett, J. Phys. Condens. Matter, 2, 4979 (1990); P. Bartlett and R. H. Ottewill, J. Chem. Phys., 96, 3306 (1991); P. Bartlett, R. H. Ottewill and P. N. Pusey, Phys. Rev. Letters, 68, 3801 (1992); P. Bartlett and P. N. Pusey, Physica A, 194, 415 (1993).
53. P. Bartlett and R. H. Ottewill, J. Chem. Phys., 93, 1299 (1990); P. Bartlett, J. Phys. Condens. Matter, 2, 4979 (1990); P. Bartlett and R. H. Ottewill, J. Chem. Phys., 96, 3306 (1991); P. Bartlett, R. H. Ottewill and P. N. Pusey, Phys. Rev. Letters, 68, 3801 (1992); P. Bartlett and P. N. Pusey, Physica A, 194, 415 (1993).
54. P. Bartlett and R. H. Ottewill, J. Chem. Phys., 93, 1299 (1990); P. Bartlett, J. Phys. Condens. Matter, 2, 4979 (1990); P. Bartlett and R. H. Ottewill, J. Chem. Phys., 96, 3306 (1991); P. Bartlett, R. H. Ottewill and P. N. Pusey, Phys. Rev. Letters, 68, 3801 (1992); P. Bartlett and P. N. Pusey, Physica A, 194, 415 (1993).
55. P. Bartlett and R. H. Ottewill, J. Chem. Phys., 93, 1299 (1990); P. Bartlett, J. Phys. Condens. Matter, 2, 4979 (1990); P. Bartlett and R. H. Ottewill, J. Chem. Phys., 96, 3306 (1991); P. Bartlett, R. H. Ottewill and P. N. Pusey, Phys. Rev. Letters, 68, 3801 (1992); P. Bartlett and P. N. Pusey, Physica A, 194, 415 (1993).
56. P. Bartlett and R. H. Ottewill, J. Chem. Phys., 93, 1299 (1990); P. Bartlett, J. Phys. Condens. Matter, 2, 4979 (1990); P. Bartlett and R. H. Ottewill, J. Chem. Phys., 96, 3306 (1991); P. Bartlett, R. H. Ottewill and P. N. Pusey, Phys. Rev. Letters, 68, 3801 (1992); P. Bartlett and P. N. Pusey, Physica A, 194, 415 (1993).
57. Y. Nagano, T. Tamura and T Kiyobayashi, Chem. Phys. Letters, 228, 125 (1994).
58. M. Matsuoka, Bunri Gijutsu (Separation Process Engineering), 7, 245 (1977).
59. P. A. Monson and G. P. Morriss, Adv. Chem. Phys., 77, 451 (1990)
60. S. J. Singer and R. Mumaugh, J. Chem. Phys., 93, 1278 (1990).
61. C. Vega, E. P. A. Paras and P. A. Monson, J. Chem. Phys., 97, 8543 (1992)
62. E. P. A. Paras, C. Vega and P. A. Monson, Mol. Phys., 77, 803 (1992).
63. E. P. A. Paras, C. Vega and P. A. Monson, Mol. Phys., 79, 1063 (1993).
64. C. Vega and P. A. Monson, J. Chem. Phys., 102, 1361 (1995)
65. C. Vega and P. A. Monson, Mol. Phys., 85, 413 (1995).