Molecular dynamics comparative study of Lennard-Jones α -6 and exponential α -6 potentials: Application to real simple fluids (viscosity and pressure)

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 73, Issue 6, 2006, Pages

  Galliéro, Guillaume ^a   Boned, Christian ^b   Baylaucq, Antoine ^b   Montel, François ^c  

^a UNIVERSITÉ GUSTAVE EIFFEL   (France)

^b UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

^c CSTJF   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AIR; ARGON; COMPUTER SIMULATION; DENSITY MEASUREMENT (SPECIFIC GRAVITY); ETHANE; METHANE; MOLECULAR DYNAMICS; NITROGEN; OXYGEN; THERMODYNAMIC PROPERTIES; VISCOSITY;

PRESSURE VALUES; REAL SIMPLE FLUIDS; SPHERICAL FLUID PARTICLES; SUPERCRITICAL TEMPERATURE;

FLOW OF FLUIDS;

EID: 33744811741     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.73.061201     Document Type: Article

References (40)

1. A. J. Stone, The Theory of Intermolecular Forces (Clarendon Press, Oxford, 1996).
2. I. Nezbeda, Mol. Phys. MOPHAM 0026-8976 10.1080/0026897042000274775 103, 59 (2005).
3. T. Young and H. C. Andersen, J. Phys. Chem. B JPCBFK 1089-5647 109, 2985 (2005).
4. S. Hess and M. Kröger, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.64.011201 64, 011201 (2001).
5. R. A. Buckingham, Proc. R. Soc. London, Ser. A PRLAAZ 1364-5021 168, 264 (1938).
6. J. R. Errington and A. Z. Panagiotopoulos, J. Phys. Chem. B JPCBFK 1089-5647 10.1021/jp990988n 103, 6314 (1999).
7. H. Zhang and J. F. Ely, Fluid Phase Equilib. FPEQDT 0378-3812 217, 111 (2004).
8. D. M. Heyes and A. C. Branka, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b414579h 7, 1220 (2005).
9. I. I. Adamenko, A. N. Grigoriev, and Y. I. Kuzovkov, J. Mol. Liq. JMLIDT 0167-7322 105, 261 (2003).
10. E. Ruckenstein and H. Liu, Ind. Eng. Chem. Res. IECRED 0888-5885 10.1021/ie9701332 36, 3927 (1997).
11. M. G. Martin and A. P. Thomson, Fluid Phase Equilib. FPEQDT 0378-3812 10.1016/j.fluid.2003.06.007 217, 105 (2004).
12. M. Kröger, Phys. Rep. PRPLCM 0370-1573 10.1016/j.physrep.2003.10.014 390, 453 (2004).
13. A. Z. Panagiotopoulos, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.481307 112, 7132 (2000).
14. J. P. Boon and S. Yip, Molecular Hydrodynamics (Dover, New York, 1991).
15. B. E. Poling, J. M. Prausnitz, and J. P. O'Connell, The Properties of Gases and Liquids (McGraw-Hill, New York, 2001).
16. J. Vidal, Thermodynamique: Application au Génie Chimique et à l'Industrie Pétrolière (Technip, Paris, 1997).
17. B. Hess, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1421362 116, 209 (2002).
18. D. J. Evans and G. Moriss, Statistical Mechanics of Nonequilibrium Liquids (Academic Press, London, 1990).
19. J. Ge, G. Marcelli, B. D. Todd, and R. J. Sadus, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.64.021202 64, 021201 (2001).
20. J. Ge, B. D. Todd, G. Wu, and R. J. Sadus, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.67.061201 67, 061201 (2003).
21. G. Marcelli, B. D. Todd, and R. J. Sadus, Fluid Phase Equilib. FPEQDT 0378-3812 183-184, 371 (2001).
22. F. Müller-Plathe, Phys. Rev. E PLEEE8 1063-651X 10.1103/PhysRevE.59. 4894 59, 4894 (1999).
23. F. Muller-Plathe and D. Reith, Comput. Theor. Polym. Sci. CTPSFJ 1089-3156 10.1016/S1089-3156(99)00006-9 9, 203 (1999).
24. P. Bordat and F. Müller-Plathe, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1436124 116, 3362 (2002).
25. H. J. C Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. di Nola, and J. R. Haak, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.448118 81, 3684 (1984).
26. K. Meier, Ph.D. thesis, University of the Federal Armed Forces, Hamburg, 2002 (unpublished).
27. K. Meier, A. Laesecke, and S. Kabelac, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1770695 121, 3671 (2004).
28. G. Galliero, C. Boned, A. Baylaucq, and F. Montel, Fluid Phase Equilib. FPEQDT 0378-3812 234, 56 (2005).
29. J. Kolafa and I. Nezbeda, Fluid Phase Equilib. FPEQDT 0378-3812 10.1016/0378-3812(94)80001-4 100, 1 (1994).
30. S. Chapman and T. G. Cowling, The Mathematical Theory of Non-Uniform Gases (Cambridge Mathematical Library, Cambridge, 1990).
31. E. Vogel, J. Wilhelm, C. Küchenmeister, and M. Jaeschke, High Temp. - High Press. HTHPAK 0018-1544 32, 73 (2000).
32. U. Setzmann and W. Wagner, J. Phys. Chem. Ref. Data JPCRBU 0047-2689 20, 1061 (1991).
33. D. G. Friend, G. Ingham, and J. F. Ely, J. Phys. Chem. Ref. Data JPCRBU 0047-2689 20, 275 (1991).
34. E. W. Lemmon and R. T. Jacobsen, Int. J. Thermophys. IJTHDY 0195-928X 10.1023/B:IJOT.0000022327.04529.f3 25, 21 (2004).
35. Ch. Tegeler, R. Spanand, W. Wagner, J. Phys. Chem. Ref. Data JPCRBU 0047-2689 10.1063/1.556037 28, 779 (1999).
36. R. B. Stewart, R. T. Jacobsen, and W. Wagner, J. Phys. Chem. Ref. Data JPCRBU 0047-2689 20, 917 (1991).
37. R. Span, E. W. Lemmon, R. T. Jacobsen, W. Wagner, and A. J. Yokozeki, J. Phys. Chem. Ref. Data JPCRBU 0047-2689 10.1063/1.1349047 29, 1361 (2000).
38. E. W. Lemmon, R. T. Jacobsen, S. G. Penoncello, and D. G. Friend, J. Phys. Chem. Ref. Data JPCRBU 0047-2689 10.1063/1.1285884 29, 331 (2000).
39. P. Borgelt, C. Hoheisel, and G. Stell, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.42.789 42, 789 (1990).
40. G. Galliero, C. Boned, and A. Baylaucq, Ind. Eng. Chem. Res. IECRED 0888-5885 44, 6963 (2005).