Quasi-chemical theory for the statistical thermodynamics of the hard-sphere fluid

Journal of Physical Chemistry B

Volumn 105, Issue 47, 2001, Pages 11662-11668

  Pratt, Lawrence R ^a   Laviolette, Randall A ^b   Gomez, Maria A ^c   Gentile, Mary E ^c  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

^b IDAHO NATIONAL LABORATORY   (United States)

^c VASSAR COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

QUASI-CHEMICAL THEORY;

COMPUTER SIMULATION; CORRELATION METHODS; ITERATIVE METHODS; POISSON DISTRIBUTION; THERMODYNAMICS;

FLUIDS;

EID: 0035969719     PISSN: 10895647     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp011525w     Document Type: Article

References (47)

1. Pratt, L.R.; LaViolette, R.A. Mol. Phys. 1998, 94, 909.
2. Pratt, L.R.; Rempe, S.B. In Simulation and Theory of Electrostatic Interactions in Solution. Computational Chemistry, Biophysics, and Aqueous Solutions; Pratt, L.R., Hummer, G., Eds.; AIP Conference Proceedings 492; American Institute of Physics: Melville, NY, 1999; p 172.
3. Hummer, G.; Garde, S.; García, A.E.; Pratt, L.R. Chem. Phys. 2000, 258, 349.
4. Chandler, D.; Weeks, J.D.; Andersen, H.C. Science 1983, 220, 787.
5. Stell, G. In The Wonderful World of Stochastics A Tribute to Elliot W. Montroll; Shlesinger, M.F., Weiss, G.H., Eds.; Studies in Statistical Mechanics XII; Elsevier Science Publishers: New York, 1985; p 127.
6. Altenberger, A.R.; Dahler, J.S. Phys. Rev. E 1996, 54, 6242.
7. Robles, M.; deHaro, M.L.; Santos, A.; Yuste, S.B. J. Chem. Phys. 1998, 108, 1290.
8. Yelash, L.V.; Kraska, T.; Deiters, U.K. J. Chem. Phys. 1999, 110, 3079.
9. Parisi, G.; Slanina, F. Phys. Rev. E 2000, 62, 6554.
10. Truskett, T.; Torquato, S.; Debenedetti, P. Phys. Rev. E 1998, 58, 7369.
11. Sastry, S.; Truskett, T.; Debenedetti, P.; Torquato, T.; Stillinger, F. Mol. Phys. 1998, 95, 289.
12. Pohorille, A.; Pratt, L.R. J. Am. Chem. Soc. 1990, 112, 5066.
13. Pratt, L.R.; Pohorille, A. Proc. Natl. Acad. Sci. U.S.A. 1992, 89, 2995.
14. Pratt, L.R.; Pohorille, A. In Proceedings of the EBSA 1992 International Workshop on Water-Biomolecule Interactions; Palina, M.U., Palma-Vittorelli, M.B., Parak, F., Eds.; Societá Italiana de Fisica: Bologna, Italy, 1993; p 261.
15. Hummer, G.; Garde, S.; García, A.E.; Pohorille, A.; Pratt, L.R. Proc. Natl. Acad. Sci. U.S.A. 1996, 93, 8951.
16. Garde, S.; Hummer, G.; García, A.E.; Paulaitis, M.E.; Pratt, L.R. Phys. Rev. Lett. 1996, 77, 4966.
17. Pratt, L.R. Encyclopedia of Computational Chemistry; John Wiley & Sons: Chiehester, U.K., 1998; pp 1286-1294.
18. Hummer, G.; Garde, S.; García, A.E.; Paulaitis, M.E.; Pratt, L.R. Proc. Natl. Acad. Sci. USA 1998, 95, 1552.
19. Hummer, G.; Garde, S.; García, A.E.; Paulaitis, M.E.; Pratt, L.R. J. Phys. Chem. B 1998, 102, 10469.
20. Pohorille, A. Pol. J. Chem. 1998, 72, 1680.
21. Pratt, L.; Hummer, G.; Garde, S. In New Approaches to Problems in Liquid-State Theory; Caccamo, C., Hansen, J.-P., Stell, G., Eds.; NATO Science Series 529 Kluwer: Dordrecht, The Netherlands, 1999; pp 407-420.
22. Gomez, M.A.; Pratt, L.R.; Hummer, G.; Garde, S. J. Phys. Chem. B 1999, 103, 3520.
23. Garde, S.; García, A.E.; Pratt, L.R.; Hummer, G. Biophys. Chem. 1999, 78, 21.
24. Katsov, K.; Weeks, J. Phys. Rev. Lett. 2001, 86, 440.
25. Crooks, G.E.; Chandler, D. Phys. Rev. E 1997, 56 (4), 4217.
26. Hammersley, J.M.; Handscomb, D.C. Monte Carlo Methods (Chapman and Hall, London, 1964).
27. Ree, F.H.; Hoover, W.G. J. Chem. Phys. 1964, 40, 939.
28. Rempe, S.B.; Pratt, L.R.; Hummer, G.; Kress, J.D.; Martin, R.L.; Redondo, A. J. Am. Chem. Soc. 2000, 122, 966.
29. Rempe, S.B.; Pratt, L.R. Fluid Phase Equilibrium 2001, in press, LA-UR-00-2309 (http://lanl.gov/abs/physics/0006026).
30. Stillinger, F.H. J. Solution Chem. 1973, 2, 141.
31. Ashbaugh, H.S.; Paulaitis, M.E. Effect of Solute Size and Solute-Water Attractive Interactions on Hydration Water Structure around Hydrophobic Solutes, Technical Report. Private communication, 2001.
32. Hummer, G.; Garde, S. Phys. Rev. Lett. 1998, 80, 4193.
33. Lum, K.; Chandler, D.; Weeks, J.D. J. Phys. Chem. B 1999, 103, 4570.
34. Huang, D.M.; Geissler, P.L.; Chandler, D. J. Phys. Chem. B 2001, 105, 6704.
35. Wallqvist, A.; Gallichio, E.; Levy, R.M. J. Phys. Chem. B 2001, 105, 6745.
36. Hummer, G.; Rasaiah, J.C.; Noworyta, J.P. Water Conduction through a Hydrophobic Channel of a Carbon Nanotube, Technical Report. Private communication, 2001.
37. Pratt, L.R.; Chandler, D. J. Chem. Phys. 1977, 67, 3863.
38. Pratt, L.R.; Chandler, D. J. Chem. Phys. 1980, 73, 3434.
39. Widom, B. J. Phys. Chem. 1982, 86, 869.
40. Rowlinson, J.S.; Widom, B. Molecular Theory of Capillarity; Clarendon Press: Oxford, 1982; p 82 and following.
41. McQuarrie, D.A. Statistical Mechanics; Harper & Row: New York, 1976; Chapter 9.
42. Guggenheim, E.A. Proc. R. Soc. London, Ser. A 1935, 148, 304.
43. Bethe, H. Proc. R. Soc. London, Ser. A 1935, 150, 552.
44. Brush, S.G.; Kikuchi, R. Lattice Models for Cooperative Phenomena. I. Survey and Comparison of Approximate Methods; Technical Report UCRL-14287; University of California, Lawrence Radiation Laboratory: Livermore, CA, 1965.
45. Reiss, H.; Merry, G.A. J. Phys. Chem. 1981, 85, 3313.
46. Sotocampos, G.; Corti, D.; Reiss, H. J. Chem. Phys. 1998, 108, 2563.
47. Chandrasekhar, S. Rev. Mod. Phys. 1943, 15, 1.