Transport properties of the rough hard sphere fluid

Journal of Chemical Physics

Volumn 136, Issue 4, 2012, Pages

  Kravchenko, Olga ^a   Thachuk, Mark ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BENCHMARK CALCULATIONS; BULK VISCOSITY; FLUID PROPERTY; HARD SPHERE FLUIDS; HARD SPHERES; LOW DENSITY; MOLECULAR DYNAMICS SIMULATIONS; PARTICLE ROTATIONS; SELF-DIFFUSION; SPHERICAL PARTICLE; SYSTEMATIC STUDY; THERMAL CONDUCTIVITY COEFFICIENT; TRANSPORT COEFFICIENT;

DENSITY FUNCTIONAL THEORY; DIFFUSION IN LIQUIDS; MOLECULAR DYNAMICS; SPHERES; THERMAL CONDUCTIVITY;

TRANSPORT PROPERTIES;

EID: 84861581344     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3679399     Document Type: Article

References (34)

1. G. H. Bryan, Br. Assoc. Adv. Sci., Rep. 3, 102 (1894).
2. D. W. Condiff, W.-K. Lu, and J. S. Dahler, J. Chem. Phys. 42, 3445 (1965). 10.1063/1.1695749
3. B. J. McCoy, S. I. Sandler, and J. S. Dahler, J. Chem. Phys. 45, 3485 (1966). 10.1063/1.1727365
4. W. M. Klein, D. K. Hoffman, and J. S. Dahler, J. Chem. Phys. 49, 2321 (1968). 10.1063/1.1670403
5. M. Theodosopulu and J. Dahler, J. Chem. Phys. 60, 4048 (1974). 10.1063/1.1680856
6. K. L. Rider and M. Fixman, J. Chem. Phys. 57, 2548 (1972). 10.1063/1.1678623
7. J. R. Mehaffey and R. C. Desai, J. Chem. Phys. 66, 5489 (1977). 10.1063/1.433868
8. J. T. Hynes, Annu. Rev. Phys. Chem. 28, 301 (1977). 10.1146/annurev.pc. 28.100177.001505
9. J. T. Hynes, R. Kapral, and M. Weinberg, J. Chem. Phys. 67, 3256 (1977). 10.1063/1.435242
10. R. Kapral and R. C. Desai, J. Chem. Phys. 67, 5645 (1978). 10.1063/1.434817
11. J. R. Lebenhaft and R. Kapral, J. Chem. Phys. 74, 6888 (1981). 10.1063/1.441099
12. B. J. McCoy and J. S. Dahler, J. Chem. Phys. 50, 2411 (1969). 10.1063/1.1671396
13. C. Cercignani and M. Lampis, J. Stat. Phys. 53, 655 (1988). 10.1007/BF01014218
14. J. Montgomery and B. Berne, J. Chem. Phys. 67, 4580 (1977). 10.1063/1.434618
15. J. ODell and B. Berne, J. Chem. Phys. 63, 2376 (1975). 10.1063/1.431666
16. B. Berne, J. Chem. Phys. 66, 2821 (1977). 10.1063/1.434355
17. C. Pangali and B. Berne, J. Chem. Phys. 67, 4571 (1977). 10.1063/1.434617
18. H. Sigurgeirsson and D. M. Heyes, Mol. Phys. 101, 469 (2003). 10.1080/0026897021000037717
19. D. Chandler, J. Chem. Phys. 62, 1358 (1975). 10.1063/1.430647
20. K. Harris, Mol. Phys. 77, 1153 (1992). 10.1080/00268979200103041
21. A. Eastel and L. Woolf, J. Chem. Soc., Faraday Trans. I 80, 549 (1984). 10.1039/f19848000549
22. O. Kravchenko and M. Thachuk, J. Chem. Phys. 134, 114310 (2011). 10.1063/1.3562369
23. B. J. Alder, D. M. Gass, and T. E. Wainwright, J. Chem. Phys. 53, 3813 (1970). 10.1063/1.1673845
24. N. F. Carnahan and K. E. Starling, J. Chem. Phys. 51, 635 (1969). 10.1063/1.1672048
25. M. N. Bannerman, L. Lue, and L. V. Woodcock, J. Chem. Phys. 132, 084507 (2010). 10.1063/1.3328823
26. L. Waldmann, Z. Naturforsch. Pt A A18, 1033 (1963).
27. F. B. Pidduck, Proc. R. Soc. London, Ser. A 101, 101 (1922).
28. J. O. Hirschfelder, C. F. Curtiss, and R. B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1964).
29. S. Chapman and T. G. Cowling, The Mathematical Theory of Non-uniform Gases: An Account of the Kinetic Theory of Viscosity, Thermal Conduction and Diffusion in Gases (Cambridge University Press, New York, 1952).
30. M. Fushiki, Phys. Rev. E 68, 021203 (2003). 10.1103/PhysRevE.68.021203
31. See supplementary material at http://dx.doi.org/10.1063/1.3679399 E-JCPSA6-136-019205 for a tabular list of the raw simulation data as a function of density, α, and number of particles. These values were used in the extrapolation to the infinite size limit, from which the data in Tables were obtained.
32. R. J. Speedy, Mol. Phys. 62, 509 (1987). 10.1080/00268978700102371
33. M. J. Assael, J. H. Dymond, and P. M. Patterson, Int. J. Thermophys. 13, 729 (1992). 10.1007/BF00501953
34. J. J. Erpenbeck and W. W. Wood, Phys. Rev. A 43, 4254 (1991). 10.1103/PhysRevA.43.4254