The application of the thermodynamic perturbation theory to study the hydrophobic hydration

Journal of Chemical Physics

Volumn 139, Issue 2, 2013, Pages

  Mohorič, Tomaž ^a   Urbic, Tomaz ^a   Hribar Lee, Barbara ^a  

^a UNIVERSITY OF LJUBLJANA   (Slovenia)

Author keywords

[No Author keywords available]

Indexed keywords

EXPERIMENTAL DATUM; HYDROPHOBIC EFFECT; HYDROPHOBIC HYDRATION; HYDROPHOBIC SOLUTES; MONTE CARLO COMPUTER SIMULATIONS; SIZE DEPENDENCE; SOLVATION THERMODYNAMICS; THERMODYNAMIC PERTURBATION THEORY;

HYDROPHOBICITY; THERMODYNAMICS;

COMPUTER SIMULATION;

WATER;

CHEMICAL MODEL; CHEMICAL PHENOMENA; CHEMISTRY; COMPUTER SIMULATION; MONTE CARLO METHOD; THERMODYNAMICS; ARTICLE;

COMPUTER SIMULATION; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; MODELS, CHEMICAL; MONTE CARLO METHOD; THERMODYNAMICS; WATER;

EID: 84880405242     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4812744     Document Type: Article

References (42)

1. C. Tanford, The Hydrophobic Effect: Formation of Micelles and Biological Membranes (John Wiley Sons, Inc., New York, 1973).
2. A. Ben-Naim, Solvation Thermodynamics (Plenum Press, New York, 1987).
3. T. Lazaridis, Hydrophobic Effect (John Wiley Sons, Ltd., Chichester, 2013).
4. K. A. Dill, Biochemistry 29, 7133-7155 (1990). 10.1021/bi00483a001
5. N. T. Southall, K. A. Dill, and A. D. J. Haymet, J. Phys. Chem. B 106, 521-533 (2002). 10.1021/jp015514e
6. D. R. Biggerstaff and R. H. Wood, J. Phys. Chem. 92, 1988-1994 (1988). 10.1021/j100318a056
7. D. R. Biggerstaff and R. H. Wood, J. Phys. Chem. 92, 1994-2000 (1988). 10.1021/j100318a057
8. R. Crovetto, R. Fernandez-Prini, and M. L. Japas, J. Chem. Phys. 76, 1077-1086 (1982). 10.1063/1.443074
9. A. Ben-Naim and Y. Marcus, J. Chem. Phys. 80, 4438-4440 (1984). 10.1063/1.447224
10. A. Ben-Naim and Y. Marcus, J. Chem. Phys. 81, 2016-2027 (1984). 10.1063/1.447824
11. K. A. T. Silverstein, A. D. J. Haymet, and K. A. Dill, J. Am. Chem. Soc. 120, 3166-3175 (1998). 10.1021/ja973029k
12. A. Bizjak, T. Urbic, V. Vlachy, and K. A. Dill, Acta Chim. Slov. 54, 532-537 (2007).
13. M. S. Wertheim, J. Stat. Phys. 35, 19-34 (1984). 10.1007/BF01017362
14. M. S. Wertheim, J. Stat. Phys. 35, 35-47 (1984). 10.1007/BF01017363
15. M. S. Wertheim, J. Stat. Phys. 42, 459-476 (1986). 10.1007/BF01127721
16. M. S. Wertheim, J. Stat. Phys. 42, 477-492 (1986). 10.1007/BF01127722
17. T. Urbic, V. Vlachy, Yu. V. Kalyuzhnyi, N. T. Southall, and K. A. Dill, J. Chem. Phys. 112, 2843-2848 (2000). 10.1063/1.480928
18. T. Urbic, V. Vlachy, Yu. V. Kalyuzhnyi, N. T. Southall, and K. A. Dill, J. Chem. Phys. 116, 723-729 (2002). 10.1063/1.1427307
19. A. Bizjak, T. Urbic, V. Vlachy, and K. A. Dill, J. Chem. Phys. 131, 194504 (2009). 10.1063/1.3259970
20. N. T. Southall and K. A. Dill, J. Phys. Chem. B 104, 1326-1331 (2000). 10.1021/jp992860b
21. K. A. T. Silverstein, A. D. J. Haymet, and K. A. Dill, J. Am. Chem. Soc. 122, 8037-8041 (2000). 10.1021/ja000459t
22. D. Chandler, Nature (London) 437, 640-647 (2005). 10.1038/nature04162
23. K. Lum, D. Chandler, and J. D. Weeks, J. Phys. Chem. B 103, 4570-4577 (1999). 10.1021/jp984327m
24. D. M. Huang and D. Chandler, J. Phys. Chem. B 106, 2047-2053 (2002). 10.1021/jp013289v
25. C. L. Dias, T. Ala-Nissila, M. Grant, and M. Karttunen, J. Chem. Phys. 131, 054505 (2009). 10.1063/1.3183935
26. C. L. Dias, T. Hynninen, T. Ala-Nissila, and A. S. Foster, J. Chem. Phys. 134, 065106 (2011). 10.1063/1.3537734
27. See supplementary material at http://dx.doi.org/10.1063/1.4812744 E-JCPSA6-139-009327 for free energy temperature and size dependence.
28. T. Hynninen, C. L. Dias, A. Mkrtchyan, V. Heinonen, M. Karttunen, and A. S. Foster, Comput. Phys. Commun. 183, 363-369 (2012). 10.1016/j.cpc.2011.09.008
29. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, San Diego, 2002).
30. T. Boublik, I. Nezbeda, and K. Hlavaty, Statistical Thermodynamics of Simple Liquids and Their Mixtures (Elsevier, Amsterdam, 1980).
31. G. A. Mansoori, N. F. Carnahan, K. E. Starling, and T. W. Leland Jr., J. Chem. Phys. 54, 1523-1525 (1971). 10.1063/1.1675048
32. Yu. V. Kalyuzhnyi and P. T. Cummings, J. Chem. Phys. 104, 3325-3328 (1996). 10.1063/1.471094
33. I. Nezbeda, W. R. Smith, and J. Kolafa, J. Chem. Phys. 100, 2191-2201 (1994). 10.1063/1.466516
34. D. M. Huang, P. L. Geissler, and D. Chandler, J. Phys. Chem. B 105, 6704-6709 (2001). 10.1021/jp0104029
35. M. H. Abraham, P. L. Grellier, and R. A. McGill, J. Chem. Soc., Perkin Trans. 2 1987, 797-803. 10.1039/P29870000797
36. M. H. Abraham, P. L. Grellier, and R. A. McGill, J. Chem. Soc., Perkin Trans. 2 1988, 339-345. 10.1039/P29880000339
37. A. Bizjak, Ph.D. Thesis, University of Ljubljana, 2010.
38. W. L. Masterton, J. Chem. Phys. 22, 1830-1833 (1954). 10.1063/1.1739928
39. T. R. Rettich, Y. P. Handa, R. Battino, and E. Wilhelm, J. Phys. Chem. 85, 3230-3237 (1981). 10.1021/j150622a006
40. L. Hnedkovsky and R. H. Wood, J. Chem. Thermodyn. 29, 731-747 (1997). 10.1006/jcht.1997.0192
41. M. S. Moghaddam and H. S. Chan, J. Chem. Phys. 126, 114507 (2007). 10.1063/1.2539179
42. S. Rajamani, T. M. Truskett, and S. Garde, Proc. Natl. Acad. Sci. U.S.A. 102, 9475-9480 (2005). 10.1073/pnas.0504089102