Molecular dynamics study of the thermodynamic and structural properties of methanol and polarizable/non-polarizable carbon tetrachloride mixtures

Journal of Chemical Physics

Volumn 105, Issue 7, 1996, Pages 2828-2836

  Veldhuizen, R ^a   De Leeuw, S W ^b  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

^b DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000512014     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.472145     Document Type: Article

References (32)

1. Y.P. Puhovski and B.M. Rode, J. Phys. Chem. 99, 1566 (1995).
2. H. Tanaka and K.E. Gubbins, J. Chem. Phys. 97, 2626 (1992).
3. M. Ferrario, M. Haughney, I.R. McDonald, and M.L. Klein, J. Chem. Phys. 93, 5156 (1990).
4. E.P. Wallis, Fluid Phase Equilib. 103, 97 (1995).
5. Y. Adachi and K. Nakashi, Mol. Simulations 6, 299 (1991).
6. Y. Adachi and K. Nakashi, Fluid Phase Equilib. 83, 69 (1993).
7. S.W. de Leeuw, B. Smit, and C.P. Williams, Mol. Phys. 65, 1269 (1988).
8. S.W. de Leeuw, B. Smit, and C.P. Williams, Fluid Phase Equilib. 48, 99 (1989).
9. S.W. de Leeuw, B. Smit, and C.P. Williams, J. Chem. Phys. 93, 2704 (1990).
10. G.C.A.M. Mooij, S.W. de Leeuw, B. Smit, and C.P. Williams, J. Chem. Phys. 97, 5113 (1992).
11. W.L. Jorgensen, J. Phys. Chem. 90, 1276 (1986).
12. J.-E.A. Otterstedt and R.W. Missen, Trans. Faraday Soc. 57, 879 (1962).
13. G.C. Paraskevopoulos and R.W. Missen, Trans. Faraday Soc. 57, 869 (1962).
14. I.R. McDonald, D.G. Bounds, and M.L. Klein, Mol. Phys. 45, 521 (1982).
15. J. Applequist, J.R. Carl, and K.-K. Fung, J. Am. Chem. Soc. 94, 2952 (1972).
16. S. Nose, J. Chem. Phys. 81, 511 (1984).
17. H.C. Andersen, J. Chem. Phys. 72, 2384 (1980).
18. G. Ciccotti and J.P. Ryckaert, Comput. Phys. Rep. 4, 345 (1986).
19. M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).
20. S.W. de Leeuw, J.W. Perram, and H.G. Petersen, J. Stat. Phys. 61, 1203 (1990).
21. S.W. de Leeuw, J.W. Perram, and E.R. Smith, Proc. R. Soc. Lond. Ser. A 373, 27 (1980).
22. J.W. Perram, H.G. Petersen, and S.W. de Leeuw, Mol. Phys. 65, 875 (1988).
23. H. Flyvbjerg and H.G. Petersen, J. Chem. Phys. 91, 461 (1989).
24. W.L. Jorgensen, J. Am. Chem. Soc. 103, 341 (1981).
25. M. Haughney, M. Ferrario, and I.R. McDonald, J. Chem. Phys. 91, 4934 (1987).
26. L.L. Lee, T.H. Chung, and K.E. Starling, Fluid Phase Equilib. 12, 105 (1983).
27. H. Wolff and H.-E. Höppel, Ber. Bunsenges. Phys. Chem. 72, 1173 (1986).
28. R. Mecke, Z. Electrochem. 52, 269 (1948).
29. E.G. Hoffmann, Z. Phys. Chem. B 53, 179 (1943).
30. J.M. Prausnitz, R.N. Lichtenthaler, and E. Gomez de Azevedo, Molecular Thermodynamics of Fluid-Phase Equilibria (Prentice-Hall, Englewood Cliffs, NJ, 1986).
31. D.C. Rapaport, Mol. Phys. 50, 1151 (1983).
32. J. Alonso, F.J. Benmejo, M. García-Hernández, J.L. Martínez, and W.S. Howells, J. Mol. Struc. 250, 147 (1991).