Virial coefficients, equation of state, and solid-fluid coexistence for the soft sphere model

Molecular Physics

Volumn 109, Issue 1, 2011, Pages 123-132

  Tan, Tai Boon ^a   Schultz, Andrew J ^a   Kofke, David A ^a  

^a State University of New York   (United States)

Author keywords

Mayer sampling Monte Carlo; Pad approximation; soft sphere; transition properties; virial equation of state

Indexed keywords

APPROXIMANTS; EQUATION OF STATE; FLUID-PHASE; FLUID-SOLID COEXISTENCE; FREEZING DENSITIES; HIGH DENSITY; MONTE CARLO; N VALUE; SIMULATION DATA; SOFT SPHERE; SOFT-SPHERE MODELS; TRANSITION PROPERTIES; VIRIAL COEFFICIENT; VIRIAL EQUATION OF STATE;

FLUIDS; FREEZING; MONTE CARLO METHODS; SPHERES;

EQUATIONS OF STATE;

EID: 79551524386     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2010.520041     Document Type: Article

References (36)

1. W.G. Hoover, M. Ross, K.W. Johnson, D. Henderson, A.J. Barker and B.C. Brown, J. Chem. Phys. 52, 4931 (1970).
2. J. Kolafa, S. Labik and A. Malijevsky, Phys. Chem. Chem. Phys. 6, 2335 (2004).
3. S. Labik, J. Kolafa and A. Malijevsky, Phys. Rev. E 71, 021105 (2005).
4. A.J. Masters, J. Phys.-Condes. Matter 20, 10 (2008).
5. F.H. Ree and W.G. Hoover, J. Chem. Phys. 46, 4181 (1967).
6. E.J.J. van Rensburg, J. Phys. A - Math. Gen. 26, 4805 (1993).
7. J.K. Singh and D.A. Kofke, Phys. Rev. Lett. 92, 220601 (2004).
8. J.N. Cape and L.V. Woodcock, Chem. Phys. Lett. 59, 271 (1978).
9. R.L. Davidchack and B.B. Laird, Phys. Revi. Lett. 94, 086102 (2005).
10. J.P. Hansen, Phys. Rev. A 2, 221 (1970).
11. W.G. Hoover, S.G. Gray and K.W. Johnson, J. Chem. Phys. 55, 1128 (1971).
12. H.S. Kang, T. Ree and F.H. Ree, J. Chem. Phys. 84, 4547 (1986).
13. N.B. Wilding, Mol. Phys. 107, 295 (2009).
14. D.A. Young and F.J. Rogers, J. Chem. Phys. 81, 2789 (1984).
15. N. Clisby and B.M. McCoy, J. Stat. Phys. 122, 15 (2006).
16. A.Y. Vlasov, X.M. You and A.J. Masters, Mol. Phys. 100, 3313 (2002).
17. R.J. Wheatley, J. Phys. Chem. B 109, 7463 (2005).
18. J.K. Singh and D.A. Kofke, Phys. Rev. Lett. 92, 220601 (2004).
19. A.J. Schultz and D.A. Kofke, Mol. Phys. 107, 2309 (2009).
20. K.M. Benjamin, A.J. Schultz and D.A. Kofke, J. Phys. Chem. C 111, 16021 (2007).
21. K.M. Benjamin, A.J. Schultz and D.A. Kofke, J. Phys. Chem. B 113, 7810 (2009).
22. K.M. Benjamin, A.J. Schultz and D.A. Kofke, J. Phys. Chem. B 114, 4388 (2010).
23. K.M. Benjamin, A.J. Schultz and D.A. Kofke, Ind. Eng. Chem. Res. 45, 5566 (2006).
24. K.M. Benjamin, J.K. Singh, A.J. Schultz and D.A. Kofke, J. Phys. Chem. B 111, 11463 (2007).
25. A.J. Schultz and D.A. Kofke, J. Chem. Phys. 130, 224104 (2009).
26. K.R.S. Shaul, A.J. Schultz and D.A. Kofke, Collection of Czechoslovak Chem. Commun. 75, 447 (2010).
27. D.A. Kofke, Mol. Phys. 102, 405 (2004).
28. D.A. Kofke, Fluid Phase Equilibria 228, 41 (2005).
29. C.H. Bennett, J. Computat. Phys. 22, 245 (1976).
30. A.J. Schultz, V. Chaudhary and D.A. Kofke, in preparation (2010).
31. C. Domb and J.L. Lebowitz, Phase Transitions and Critical Phenomena (Academic Press, 1989), Vol. 13, p. 1.
32. T.B. Tan, A.J. Schultz and D.A. Kofke, J. Chem. Phys. 133, 134104 (2010).
33. S. Prestipino, F. Saija and P.V. Giaquinta, J. Chem. Phys. 123, 14410 (2005).
34. R. Agrawal and D.A. Kofke, Mol. Phys. 85, 23 (1995).
35. J.R. Morris and X.Y. Song, J. Chem. Phys. 116, 9352 (2002).
36. H. Ogura, H. Matsuda, T. Ogawa, N. Ogita and A. Ueda, Progr. Theor. Phys. 58, 419 (1977).