Solvation of a spherical cavity in simple liquids: interpolating between the limits

Journal of Physical Chemistry B

Volumn 113, Issue 19, 2009, Pages 6813-6818

  Wu, Jianzhong ^a  

^a University of California Riverside   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOLUTION; FREE ENERGY; INTERFACIAL ENERGY; MOLECULES; SOLVATION; SOLVENTS; SPHERES; SURFACE TENSION;

CAVITY FORMATION; CONTACT DENSITY; EXACT RESULTS; HARD SPHERES; HARD-SPHERE SYSTEM; HEURISTIC APPROACH; IN-BETWEEN; INTERFACIAL TENSIONS; LARGE LENGTH-SCALE; LENGTH SCALE; LENNARD JONES FLUID; MACROSCOPIC LIMIT; SIMPLE LIQUIDS; SIMULATION RESULT; SIZE DEPENDENCE; SMALL CAVITIES; SOLUTE MOLECULES; SOLVATION FREE ENERGIES; SOLVENT DENSITY; SOLVENT MOLECULES; SPHERICAL CAVITIES; THERMODYNAMIC LIMITS;

DENSITY FUNCTIONAL THEORY;

EID: 67650032409     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9016163     Document Type: Article

References (34)

1. Chandler, D. Nature (London) 2005, 437, 640.
2. Wu, J. Z.; Prausnitz, J. M. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 9512.
3. Thar, J.; Reckien, W.; Kirchner, B. Car-Parrinello Molecular Dynamics Simulations and Biological Systems. In Atomistic Approaches in Modern Biology: Reiher, M., Ed.; Springer-Verlag: Berlin/Heidelberg, Germany, 2007; Vol 268, pp 133.
4. Li, J. L.; Car, R.; Tang, C.; Wingreen, N. S. Proc. Natl. Acad. Sci. U.S.A. 2007, 104, 2626.
5. Cheng, L. T.; Dzubiella, J.; McCammon, J. A.; Li, B. J. Chem. Phys. 2007, 127, 084503.
6. Wagoner, J. A.; Baker, N. A. Proc. Natl Acad. Sci. U.S.A. 2007, 104, 1732.
7. Ashbaugh, H. S.; Pratt, L. R. Rev. Mod. Phys. 2006, 78, 159.
8. Reiss, H.; Frisch, H. L.; Lebowitz, J. L. J. Chem. Phys. 1959, 31, 369.
9. Helfand, E.; Reiss, H.; Frisch, H. L.; Lebowitz, J. L. J. Chem. Phys 1960, 33, 1379.
10. Cotter, M. A. J. Chem. Phys. 1977, 66, 1098.
11. Stillinger, F. H. J. Solution Chem. 1973, 2, 141.
12. Tully-Smith, D. M.; Reiss, H. J. Chem. Phys. 1970, 53, 4015.
13. Henderson, J. R. J. Chem. Phys. 2002, 116, 5039.
14. Stewart, M. C.; Evans, R. Phys. Rev. E: Stat, Nonlinear, Soft Matter Phys. 2005, 71.
15. Evans, R.; Henderson, J. R.; Roth, R. J. Chem. Phys. 2004, 121, 12074.
16. Evans, R.; Roth, R.; Bryk, P. Eur. Phys. Lett. 2003, 62, 815.
17. Tang, Y. P.; Wu, J. Z. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2004, 70, 011201.
18. Huang, D. M.; Chandler, D. Phys. Rev. E: Stat., Nonlinear, Soft Matter Phys. 2000, 61, 1501.
19. Stewart, M. C.; Evans, R. Phys. Rev. E: Stat, Nonlinear, Soft Matter Phys. 2005, 71, 011602.
20. Wu, J. Z.; Li, Z. D. Annu. Rev. Phys. Chem. 2007, 58, 85.
21. Henderson, D.; Sokolowski, S.; Patrykiejew, A. Mol. Phys. 1995, 85, 745.
22. Li, Z. D.; Wu, J. Z. Ind. Eng. Chem. Res. 2008, 47, 4988.
23. Shen, V. K.; Debenedetti, P. G. J. Chem. Phys. 2001, 114, 4149.
24. Shen, Y. C.; Oxtoby, D. W. J. Chem. Phys. 1996, 104, 4233.
25. He, Y. J.; Mi, J. G.; Zhong, C. L. J. Phys. Chem. B 2008, 112, 7251.
26. Barker, J. A.; Henderson, D. J. Chem. Phys. 1967, 47, 2856.
27. Roth, R.; Evans, R.; Lang, A.; Kahl, G. J. Phys.: Condens. Matter 2002, 14, 12063.
28. Yu, Y. X.; Wu, J. Z. J. Chem. Phys. 2002, 117, 10156.
29. Rosenfeld, Y. Phys. Rev. Lett. 1989, 63, 980.
30. Tang, Y. P.; Lu, B. C. Y. AIChE J. 1997, 43, 2215.
31. Ashbaugh, H. S. , J. Chem. Phys. 2009, submitted.
32. Helfrich, W. Z. Naturforsch., C: J. Biosci. 1973, 28C, 693.
33. Safran, S. A. Statistical Thermodynamics of Surfaces, Interfaces, and Membranes; Westview Press: Boulder, CO, 1994; Frontiers in Physics, Vol 90.
34. Konig, P. M.; Roth, R.; Mecke, K. R. Phys. Rev. Lett. 2004, 93, 160601.