Excess properties of Lennard-Jones binary mixtures from computer simulation and theory

Molecular Physics

Volumn 100, Issue 17, 2002, Pages 2823-2838

  Blas, Felipe J ^a   Fujihara, Ichiro ^b  

^a UNIVERSITY OF HUELVA   (Spain)

^b OSAKA SANGYO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; ENTHALPY; FLUID DYNAMICS; FREE ENERGY; MOLECULES; MONTE CARLO METHODS; PHASE EQUILIBRIA;

LENNARD-JONES BINARY MIXTURES;

BINARY MIXTURES;

EID: 0037057196     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970210142594     Document Type: Article

References (60)

1. McGlashan, M.L., 1985, Pure appl. Chem., 57, 89.
2. McGlashan, M.L., 1985, J. chem. Thermodyn., 17, 301.
3. Schneider, G.M., 1991, Pure appl. Chem., 63, 1313.
4. Rowlinson, J.S., and Swinton, F.L., 1982, Liquids and Liquid Mixtures, 3rd Edn (London: Butterworth Scientific).
5. Guggenheim, E.A., 1952, Mixtures (Oxford: Clarendon Press).
6. Hildebrand, J.H., Prausnitz, J.M., and Scott, R.L., 1970, Regular and Related Solutions (New York: Van Nostrand Reinhold).
7. Kiran, E., Debenedetti, P.G., and Peters, C.J. (eds), 2000, Supercritical Fluids: Fundamentals and Applications (Dordrecht: Kluwer).
8. Redlich, O., and Kister, A.T., 1948, Ind. Eng. Chem., 40, 435.
9. Abrams, D.S., and Prausnitz, J.M., 1975, AIChE J., 21, 16.
10. Prausnitz, J.M., Lichtenthaler, R.N., and Acevedo, F.G., 1986 Molecular Thermodynamics of Fluid Phase Equilibria, 2nd Edn (Englewood Cliffs, NJ: Prentice-Hall).
11. Renon, H., and Prausnitz, J.M., 1968, AIChE J., 14, 135.
12. Kehiaian, H.V., 1983, Fluid Phase Equilib., 13, 243.
13. Guggenheim, E.A., 1944, Proc. Roy. Soc. London A, 183, 213; Guggenheim, E.A., 1948, Trans. Faraday Soc., 44, 1007.
14. Guggenheim, E.A., 1944, Proc. Roy. Soc. London A, 183, 213; Guggenheim, E.A., 1948, Trans. Faraday Soc., 44, 1007.
15. Sengers, J.V., Kayser, R.F., Peters, C.J., and White Jr., H.J. (eds), 2000, Equations of State for Fluids and Fluid Mixtures (Amsterdam: Elsevier).
16. Hansen, J.P., and McDonald, I.R., 1990, Theory of Simple Liquids, 2nd Edn (London: Academic Press).
17. Gubbins, K.E., and Gray, G.C., 1984, Theory of Molecular Liquids, Vol. 1 (Oxford: Clarendon).
18. Gubbins, K.E., 1989, Molec. Simul., 2, 223.
19. Gubbins, K.E., 1993, Fluid Phase Equilib., 83, 1.
20. Allen, M.P., and Tildesley, D.J., 1987, Computer Simulation of Liquids, 2nd Edn (Oxford: Clarendon Press).
21. Frenkel, D., and Smit, B., 1996, Understanding Molecular Simulation. From Algorithms to Applications (London: Academic Press).
22. Kirkwood, J.G., 1935, J. chem. Phys., 3, 300; Kirkwood, J.G., 1936, Chem. Rev., 19, 275.
23. Kirkwood, J.G., 1935, J. chem. Phys., 3, 300; Kirkwood, J.G., 1936, Chem. Rev., 19, 275.
24. McDonald, I.R., 1972, Molec. Phys., 23, 41.
25. McDonald, I.R., 1972, Molec. Phys., 24, 391.
26. Singer, J.V.L., and Singer, K., 1972, Molec. Phys., 24, 357.
27. Haile, J.M., 1986, Fluid Phase Equilib., 26, 103; Shukla, K., and Haile, J.M., 1987, Molec. Phys., 62, 617; Shukla, K., and Haile, J.M., 1988, Molec. Phys., 64, 1041; Chialvo, A.A., and Haile, J.M., 1987, Fluid Phase Equilib., 37, 293; Chialvo, A.A., 1990, J. chem. Phys., 92, 673; Chialvo, A.A., 1991, J. phys. Chem., 95, 6683; Chialvo, A.A., 1991, Molec. Simul., 7, 265; Chialvo, A.A., 1993, Fluid Phase Equilib., 83, 23.
28. Haile, J.M., 1986, Fluid Phase Equilib., 26, 103; Shukla, K., and Haile, J.M., 1987, Molec. Phys., 62, 617; Shukla, K., and Haile, J.M., 1988, Molec. Phys., 64, 1041; Chialvo, A.A., and Haile, J.M., 1987, Fluid Phase Equilib., 37, 293; Chialvo, A.A., 1990, J. chem. Phys., 92, 673; Chialvo, A.A., 1991, J. phys. Chem., 95, 6683; Chialvo, A.A., 1991, Molec. Simul., 7, 265; Chialvo, A.A., 1993, Fluid Phase Equilib., 83, 23.
29. Haile, J.M., 1986, Fluid Phase Equilib., 26, 103; Shukla, K., and Haile, J.M., 1987, Molec. Phys., 62, 617; Shukla, K., and Haile, J.M., 1988, Molec. Phys., 64, 1041; Chialvo, A.A., and Haile, J.M., 1987, Fluid Phase Equilib., 37, 293; Chialvo, A.A., 1990, J. chem. Phys., 92, 673; Chialvo, A.A., 1991, J. phys. Chem., 95, 6683; Chialvo, A.A., 1991, Molec. Simul., 7, 265; Chialvo, A.A., 1993, Fluid Phase Equilib., 83, 23.
30. Haile, J.M., 1986, Fluid Phase Equilib., 26, 103; Shukla, K., and Haile, J.M., 1987, Molec. Phys., 62, 617; Shukla, K., and Haile, J.M., 1988, Molec. Phys., 64, 1041; Chialvo, A.A., and Haile, J.M., 1987, Fluid Phase Equilib., 37, 293; Chialvo, A.A., 1990, J. chem. Phys., 92, 673; Chialvo, A.A., 1991, J. phys. Chem., 95, 6683; Chialvo, A.A., 1991, Molec. Simul., 7, 265; Chialvo, A.A., 1993, Fluid Phase Equilib., 83, 23.
31. Haile, J.M., 1986, Fluid Phase Equilib., 26, 103; Shukla, K., and Haile, J.M., 1987, Molec. Phys., 62, 617; Shukla, K., and Haile, J.M., 1988, Molec. Phys., 64, 1041; Chialvo, A.A., and Haile, J.M., 1987, Fluid Phase Equilib., 37, 293; Chialvo, A.A., 1990, J. chem. Phys., 92, 673; Chialvo, A.A., 1991, J. phys. Chem., 95, 6683; Chialvo, A.A., 1991, Molec. Simul., 7, 265; Chialvo, A.A., 1993, Fluid Phase Equilib., 83, 23.
32. Haile, J.M., 1986, Fluid Phase Equilib., 26, 103; Shukla, K., and Haile, J.M., 1987, Molec. Phys., 62, 617; Shukla, K., and Haile, J.M., 1988, Molec. Phys., 64, 1041; Chialvo, A.A., and Haile, J.M., 1987, Fluid Phase Equilib., 37, 293; Chialvo, A.A., 1990, J. chem. Phys., 92, 673; Chialvo, A.A., 1991, J. phys. Chem., 95, 6683; Chialvo, A.A., 1991, Molec. Simul., 7, 265; Chialvo, A.A., 1993, Fluid Phase Equilib., 83, 23.
33. Haile, J.M., 1986, Fluid Phase Equilib., 26, 103; Shukla, K., and Haile, J.M., 1987, Molec. Phys., 62, 617; Shukla, K., and Haile, J.M., 1988, Molec. Phys., 64, 1041; Chialvo, A.A., and Haile, J.M., 1987, Fluid Phase Equilib., 37, 293; Chialvo, A.A., 1990, J. chem. Phys., 92, 673; Chialvo, A.A., 1991, J. phys. Chem., 95, 6683; Chialvo, A.A., 1991, Molec. Simul., 7, 265; Chialvo, A.A., 1993, Fluid Phase Equilib., 83, 23.
34. Haile, J.M., 1986, Fluid Phase Equilib., 26, 103; Shukla, K., and Haile, J.M., 1987, Molec. Phys., 62, 617; Shukla, K., and Haile, J.M., 1988, Molec. Phys., 64, 1041; Chialvo, A.A., and Haile, J.M., 1987, Fluid Phase Equilib., 37, 293; Chialvo, A.A., 1990, J. chem. Phys., 92, 673; Chialvo, A.A., 1991, J. phys. Chem., 95, 6683; Chialvo, A.A., 1991, Molec. Simul., 7, 265; Chialvo, A.A., 1993, Fluid Phase Equilib., 83, 23.
35. Shukla, K., 1997, Fluid Phase Equilib., 128, 47.
36. Fotouh, K., and Shukla, K., 1997, Chem. Eng. Sci., 52, 2369.
37. Nakanishi, K., and Toukubo, K., 1979, J. chem. Phys., 70, 5848.
38. Nakanishi, K., Okazaki, S., Ikari, K., Higuchi, T., and Tanaka, H., 1982, J. chem. Phys., 76, 629.
39. Adachi, Y., Fujihara, I., Takayima, M., and Nakanishi, K., 1988, Fluid Phase Equilib., 39, 1.
40. Fujihara, I., and Nakanishi, K., 1993, Netsu Sokutei, 20, 2.
41. Fujihara, I., and Nakanishi, K., 1995, Fluid Phase Equilib., 104, 341.
42. Prigogine, I., 1957, The Molecular Theory of Solutions (Amsterdam: North Holland).
43. Leland Jr., T.W., and Chappelear, P.S., 1968, Ind. Eng. Chem. Res., 7, 15.
44. Henderson, D., and Leonard, P.J., 1971, Physical Chemistry: An Advanced Treatise, Vol. VIIIB, edited by H. Eyring, D. Henderson and W. Jost (New York, London: Academic Press), Chap. 7.
45. MacGowan, D., Lebowitz, J.L., and Waisman, E.M., 1985, Chem. Phys. Lett., 114, 321.
46. Hicks, C.P., 1976, J. chem. Soc. Faraday Trans. 2, 72, 423.
47. Harismiadis, V.I., Koutras, N.K., Tassios, D.P., and Panagiotopoulos, A.Z., 1991, Fluid Phase Equilib., 65, 1.
48. Georgoulaki, A.M., Ntouros, I.V., Panagiotopoulos, A.Z., and Tassios, D.P., 1994, Fluid Phase Equilib., 100, 153.
49. Tsang, P.C., White, O.N., Perigard, B.Y., Vega, L.F., and Panagiotopoulos, A.Z., 1995, Fluid Phase Equilib., 107, 31.
50. Chapman, W.G., Gubbins, K.E., Jackson, G., and Radosz, M., 1989, Fluid Phase Equilib., 52, 31.
51. Chapman, W.G., Gubbins, K.E., Jackson, G., and Radosz, M., 1990, Ind. Eng. Chem. Res., 29, 1709.
52. Jackson, G., Chapman, W.G., and Gubbins, K.E., 1988, Molec. Phys., 65, 1.
53. Chapman, W.G., Jackson, G., and Gubbins, K.E., 1988, Molec. Phys., 65, 1057.
54. Blas, F.J., and Vega, L.F., 1997, Molec. Phys., 92, 135.
55. Gil-Villegas, A., Galindo, A., Whitehead, P.J., Mills, S.J., Jackson, G., and Burgess, A.N., 1997, J. chem. Phys., 104, 4168.
56. Galindo, A., Davies, L.A., Gil-Villegas, A., and Jackson, G., 1998, Molec. Phys., 93, 241.
57. Müller, E.A., and Gubbins, K.E., 2000, Equations of State for Fluid and Fluid Mixtures, edited by J.V. Sengers, R.F. Kayser, C.J. Peters and H.J. White (Amsterdam: Elsevier), Chap. 12.
58. Müller, E.A., and Gubbins, E.A., 2001, Incl. Eng. Chem. Res., 40, 2193.
59. Fujihara, I., and Nakanishi, K., 1997, J. chem. Phys., 107, 3121.
60. Johnson, J.K., Zollweg, J.A., and Gubbins, K.E., 1993, Molec. Phys., 78, 591.