Global thermodynamics of hydrophobic cavitation, dewetting, and hydration

Journal of Chemical Physics

Volumn 123, Issue 18, 2005, Pages

  Ben Amotz, Dor ^a  

^a PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CAVITY FORMATION; DEWETTING; HYDROPHOBIC CAVITATION; RARE-GAS HYDRATION;

CAVITATION; COMPUTER SIMULATION; HYDRATION; HYDROPHOBICITY; SOLVENTS; WETTING;

THERMODYNAMICS;

EID: 27644579878     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2121648     Document Type: Article

References (45)

1. F. H. Stillinger, J. Solution Chem. 2, 141 (1973).
2. K. Lum, D. Chandler, and J. D. Weeks, J. Phys. Chem. B 103, 4570 (1999).
3. H. S. Ashbaugh and L. R. Pratt, Rev. Mod. Phys. (in press).
4. D. Chandler, Nature 437, 640 (2005).
5. D. A. Doshi, E. B. Watkins, J. N. Israelachvili, and J. Majewski, Proc. Natl. Acad. Sci. U.S.A. U.S.A. 102, 9458 (2005).
6. M. Mao, J. H. Zhang, R. H. Yoon, and W. A. Ducker, Langmuir 20, 1843 (2004).
7. T. R. Jensen, M. O. Jensen, N. Reitzel, K. Balashev, G. H. Peters, K. Kjaer, and T. Bjornholm, Phys. Rev. Lett. 90, 86101 (2003).
8. R. Steitz, T. Gutberlet, T. Hauss, B. Klosgen, R. Krastev, S. Schemmel, A. C. Simonsen, and G. H. Findenegg, Langmuir 19, 2409 (2003).
9. X. Y. Zhang, Y. X. Zhu, and S. Granick, Science 295, 663 (2002).
10. H. S. Ashbaugh, L. R. Pratt, M. E. Paulaitis, J. Clohecy, and T. L. Beck, J. Am. Chem. Soc. 127, 2808 (2005).
11. S. Rajamani, T. M. Truskett, and S. Garde, Proc. Natl. Acad. Sci. U.S.A. 102, 94759480 (2005).
12. R. Zhou, X. Huang, C. J. Margulis, and B. J. Berne, Science 305, 1605 (2004).
13. S. I. Mamatkulov, P. K. Khabibullaev, and R. R. Netz, Langmuir 20, 4756 (2004).
14. X. Huang, C. J. Margulis, and B. J. Berne, J. Phys. Chem. B 107, 11742 (2003).
15. R. D. Mountain and D. Thirumalai, J. Am. Chem. Soc. 125, 1950 (2003).
16. D. Ben-Amotz, F. Rainery, and G. Stell, J. Phys. Chem. B 109, 6866 (2005).
17. G. T. Barkema and B. Widom, J. Chem. Phys. 113, 2349 (2000).
18. T. M. Truskett and K. A. Dill, Biophys. Chem. 105, 449 (2003).
19. L. R. Pratt and D. Chandler, J. Chem. Phys. 67, 3683 (1977).
20. G. Hummer, S. Garde, A. E. Garcia, M. E. Paulaitis, and L. R. Pratt, J. Phys. Chem. B 102, 10469 (1998).
21. E. W. Lemmon, M. O. McLinden, and M. L. Huber, NIST STANDARD REFERENCE DATABASE 23, version 7.0 (National Institute of Standards and Technology, Boulder, CO, 2005).
22. F. M. Floris, J. Phys. Chem. B 108, 16244 (2004).
23. D. M. Huang, P. L. Geissler, and D. Chandler, J. Phys. Chem. B 105, 6704 (2001).
24. J. M. H. Levelt Sengers, J. Supercrit. Fluids 4, 215 (1991).
25. A. Plyasunov and E. L. Shock, Fluid Phase Equilib. 222, 19 (2004).
26. J. L. Alvarez, R. Fernandez-Prini, and M. L. Japas, Ind. Eng. Chem. Res. 39, 3625 (2000).
27. L. E. S. de Souza, A. Stamatopoulou, and D. Ben-Amotz, J. Chem. Phys. 100, 1456 (1994).
28. D. M. Huang and D. Chandler, J. Phys. Chem. B 106, 2047 (2002).
29. R. L. Baldwin and N. Muller, Proc. Natl. Acad. Sci. U.S.A. 89, 7110 (1992).
30. R. Battino, Krypton, Xenon and Radon, Solubility Data Series Vol. 2 (Pergamon, New York, 1979).
31. R. Battino, Argon, Solubility Data Series Vol. 4 (Pergamon, New York, 1980).
32. R. Battino, Helium and Neon, Solubility Data Series Vol. 1 (Pergamon, New York, 1979).
33. D. R. Biggerstaff, D. E. White, and R. H. Wood, J. Phys. Chem. 89, 4378 (1985).
34. L. Hnedkovsky and R. H. Wood, J. Chem. Thermodyn. 29, 731 (1997).
35. R. C. Tolman, J. Chem. Phys. 17, 333 (1949).
36. A. Ben-Naim, Solvation Thermodynamics (Plenum, New York, 1987).
37. G. Hura, D. Russo, R. M. Glaeser, T. Head-Gordon, M. Krack, and M. Parrinello, Phys. Chem. Chem. Phys. 5, 1981 (2003).
38. D. Ben-Amotz and K. G. Willis, J. Phys. Chem. 97, 7736 (1993).
39. L. E. S. de Souza and D. Ben-Amotz, J. Chem. Phys. 101, 9858 (1994).
40. L. Lepori and P. Gianni, J. Solution Chem. 29, 405 (2000).
41. E. V. Ivanov, E. Y. Lebedeva, L. S. Efremova, and V. K. Abrosimov, Russ. J. Phys. Chem. 76, 1968 (2002).
42. Over the ambient liquid temperature range these results are also essentially identical to those for water at atmospheric pressure (P=0.1 MPa).
43. The cavity radius is defined as that excluded to the centers of water oxygen atoms, and so if water molecules are represented as spheres of diameter ł3c3;w then Rc = (ł3c3;w + ł3c3;c) 2, where ł3c3;c is the diameter of the largest hard sphere which would fit entirely within the cavity.
44. First, a diameter of 0.26 nm is very close to the point at which the radial distribution function of water first reaches a values of one (Ref.). Second, water has the same number of electrons as neon, whose equation of state implies an effective hard-sphere diameter close to 0.26 nm (Ref.). Third, the probability of finding small cavities in such a hard-sphere fluid is very similar to that in water (Ref.), which implies that the hard-core packing fraction of water is very similar to that of an 0.26-nm-diameter hard-sphere fluid (of the same number density as water).
45. The entropy convergence temperature corresponds to the temperature at which s ∫P for a given solute or series of solutes crosses zero and is considered to be one of the signatures of hydrophobic hydration (Ref.). For example, the entropy of hydration of various rare gases converge to zero just above 400 K (Ref.), while the entropy of hydration of many proteins is thought to converge at just above 100 K, leading to the crossing of denaturation entropies at about the same temperature (Ref.).