Monte Carlo study of dipolar and quadrupolar hard prolate spherocylinders

Molecular Physics

Volumn 104, Issue 2, 2006, Pages 197-210

  Janeček, Jiří ^a   Boublík, Tomáš ^a  

^a CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

COMPRESSIBILITY; COMPUTER SIMULATION; EMBEDDED SYSTEMS; MONTE CARLO METHODS; PERTURBATION TECHNIQUES; THERMODYNAMIC PROPERTIES;

HARD PROLATE SPHEROCYLINDERS (HPSS); HELMHOLTZ ENERGY; POLAR NON-SPHERICAL MOLECULE FLUIDS; QUADRUPOLAR HPS;

CYLINDERS (SHAPES);

EID: 31744451612     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970500412433     Document Type: Article

References (59)

1. J.O. Hirschfelder, C.F. Curtiss, R.B. Bird. Molecular Theory of Gases and Liquids, Wiley, New York (1954).
2. C.G. Gray, K.E. Gubbins. Theory of Molecular Fluids. Volume 1: Fundamentals, Clarendon, Oxford (1984).
3. T. Kihara. Adv. Chem. Phys., 5, 47 (1963).
4. K. Aim, J. Pavlíček, T. Boublík. Fluid Phase Equil., 116, 473 (1996).
5. Y.D. Chen, W.A. Steele. J. chem. Phys., 54, 703 (1971).
6. F. Lado. Molec. Phys., 47, 283 (1982).
7. S. Lago, P. Sevilla. J. chem. Phys., 89, 1988 (1988).
8. A. Perera, G.N. Patey. J. chem. Phys., 89, 5861 (1988).
9. S. Labík, A. Malijevský, W.R. Smith. Molec. Phys., 73, 87 and 495 (1991).
10. V. Jirásek, S. Labík, A. Malijevský, M. Lísal. Molec. Phys., 98, 2033 (2000).
11. D. Tildesley. Molec. Phys., 41, 341 (1980).
12. M. Lombardero, J.L.F. Abascal, S. Lago. Molec. Phys., 42, 999 (1981).
13. D.B. McGuigan, M. Lupowski, D.M. Paquet, P.A. Monson. Molec. Phys., 67, 33 (1989).
14. F. Kohler, N. Quirke, J. Perram. J. chem. Phys., 71, 4128 (1979).
15. J. Fischer. J. chem. Phys., 72, 5371 (1980).
16. J. Fischer, S. Lago. J. chem. Phys., 78, 5750 (1983).
17. T. Boublík. Molec. Phys., 67, 1327 (1989).
18. W.B. Sediawan, S. Gupta, E. McLaughlin. Molec. Phys., 62, 141 (1987).
19. T. Boublík. J. chem. Phys., 87, 1751 (1987).
20. P. Padilla, S. Lago. Fluid Phase Equil., 48, 53 (1989).
21. C. Vega, S. Lago. Molec. Phys., 72, 215 (1991).
22. C. Vega, S. Lago. J. chem. Phys., 94, 310 (1991).
23. J.A. Pople. Proc. R. Soc. A, 221, 498 (1954).
24. G. Stell, J.C. Rasaiah, H.N. Narang. Molec. Phys., 23, 393 (1972).
25. I.R. McDonald. J. phys., C7, 1225 (1974).
26. J.C. Rasaiah, B. Larsen, G. Stell. J. chem. Phys., 63, 722 (1975).
27. B. Larsen, J.C. Rasaiah, G. Stell. Molec. Phys., 33, 987 (1977).
28. M.V. Chambers, I.R. McDonald. Molec. Phys., 29, 1053 (1975).
29. C.H. Twu, K.E. Gubins, C.G. Gray. Molec. Phys., 29, 713 (1975).
30. M. Flytzani-Stepanopoulos, K.E. Gubins, C.G. Gray. Molec. Phys., 30, 1649 (1975).
31. C.H. Twu, K.E. Gubins, C.G. Gray. J. chem. Phys., 64, 5186 (1976).
32. M.C. Wojcik, K.E. Gubins. Molec. Phys., 51, 951 (1984).
33. M.C. Wojcik, K.E. Gubins. J. phys. Chem., 88, 6559 (1984).
34. M. Lombardero, C. Martin, E. Lomba, J.L.F. Abascal. J. phys. Chem., 93, 4636 (1989).
35. W.R. Smith, I. Nezbeda. Molec. Phys., 44, 347 (1981).
36. W.R. Smith, I. Nezbeda. Adv. Chem. Ser., 204, 235 (1983).
37. T. Boublík. Molec. Phys., 69, 497 (1990).
38. T. Boublík, C. Vega, S. Lago, M. Díaz Peña. Molec. Phys., 71, 1193 (1990).
39. T. Boublík. Fluid Phase Equil., 73, 211 (1992).
40. T. Boublík. J. phys. Chem., 97, 7092 (1993).
41. J. Pavlíček, K. Aim, T. Boublík. Collect. Czech. Chem. Commun., 58, 2489 (1993).
42. C. Vega. Molec. Phys., 75, 427 (1992).
43. C. Vega, K.E. Gubbins. Molec. Phys., 75, 881 (1992).
44. M. Bohn, J. Fischer, J. Haile. Molec. Phys., 65, 797 (1988).
45. B. Saager, J. Fischer, M. Neumann. Molec. Simulat., 6, 27 (1991).
46. A. Müller, J. Winkelmann, T. Boublík, J. Fischer, Molec. Phys., 78, 121 (1993).
47. B. Garzón, S. Lago, C. Vega. Molec. Phys., 96, 123 (1999).
48. T. Boublík, I. Nezbeda. Collect. Czech. Chem. Commun., 51, 2302 (1985).
49. J. Janeček, T. Boublík. Phys. Chem. Chem. Phys., 5, 2391 (2003).
50. T. Boublík. Molec. Phys., 91, 161 (1997).
51. L. Verlet, J.J. Weis. Phys. Rev. A, 5, 939 (1972).
52. T. Boublík. Molec. Phys., 76, 327 (1992).
53. N. Metropolis, A.W. Rosenbluth, M.N. Rosenbluth, A.H. Teller, E. Teller. J. chem. Phys., 21, 1087 (1953).
54. P. Sevilla, S. Lago. Comput. Chem., 9, 39 (1985).
55. M.P. Allen, D.J. Tildesley. Computer Simulation of Liquids, Clarendon Press, Oxford (1987).
56. B. Garzón, S. Lago, C. Vega. Chem. Phys. Lett., 231, 366 (1994).
57. G.N. Patey, J.P. Valleau. Chem. Phys. Lett., 21, 297 (1973).
58. N.F. Carnahan, K.E. Starling. J. chem. Phys., 51, 635 (1969).
59. J. Janeček, T. Boublík. Fluid Phase Equil., 212, 349 (2003).