Competition of hydrophobic and coulombic interactions between nanosized solutes

Journal of Chemical Physics

Volumn 121, Issue 11, 2004, Pages 5514-5530

  Dzubiella, J ^a   Hansen, J P ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AGGLOMERATION; COMPUTER SIMULATION; DENSITY OF LIQUIDS; ELECTRIC CHARGE; ELECTROSTATICS; HYDROPHOBICITY; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NANOSTRUCTURED MATERIALS; PROBABILITY DENSITY FUNCTION; PROTEINS; SOLVENTS;

CHARGE PATTERNS; COULOMBIC INTERACTIONS; ELECTROSTATIC INTERACTIONS; HYDROPHOBIC INTERACTIONS;

FLOW INTERACTIONS;

EID: 4944246231     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1783274     Document Type: Article

References (32)

1. M. Rubinstein and R. H. Colby, Polymer Physics (Oxford University Press, Oxford, 2003).
2. K. Lum, D. Chandler, and J. D. Weeks, J. Phys. Chem. B 103, 4570 (1999).
3. C. Tanford, The Hydrophobic Effect: Formation of Micelles and Biological Membranes (Wiley, New York, 1980).
4. C. N. Likos, Phys. Rep. 348, 267 (2001).
5. F. H. Stilinger, J. Solution Chem. 2, 141 (1973).
6. G. Hummer and S. Garde, Phys. Rev. Lett. 80, 4193 (1998).
7. D. M. Huang, P. L. Geissler, and D. Chandler, J. Phys. Chem. B 105, 6704 (2001).
8. A. Wallquist and B. J. Berne, J. Phys. Chem. 99, 2893 (1995).
9. H. Shinto, M. Miyahara, and K. Higashitani, J. Colloid Interface Sci. 209, 79 (1999).
10. M. Kinoshita, S. Iba, K. Kuwamoto, and M. Harada, J. Chem. Phys. 105, 7177 (1996).
11. Y. Qin and K. A. Fichthorn, J. Chem. Phys. 119, 9745 (2003).
12. E. Allahyarov, H. Löwen, A. A. Louis, and J.-P. Hansen, Europhys. Lett. 57, 731 (2002).
13. H. J. C. Berendsen, J. R. Grigera, and T. P. Straatsma, J. Phys. Chem. 91, 6269 (1987).
14. J. Dzubiella and J.-P. Hansen, J. Chem. Phys. 119, 12049 (2003).
15. E. Spohr, Electrochim. Acta 44, 1697 (1999).
16. U. Essmann, L. Perera, M. L. Berkowitz, T. Darden, H. Lee, and L. G. Pedersen, J. Chem. Phys. 103, 8577 (1995).
17. W. Smith and T. R. Forester, The DLPOLY_2 User Manual (1999 published online: http://www.cse.clrc.ac.uk/msi/software/DL_POLY).
18. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic Press, 1996).
19. M. Born, Z. Phys. 1, 45 (1920).
20. H. Reiss, H. L. Frisch, and J. L. Lebowitz, J. Chem. Phys. 31, 369 (1959).
21. W. M. Latimer, K. S. Pitzer, and C. M. Slansky, J. Chem. Phys. 7, 108 (1939).
22. G. Hummer, L. Pratt, and A. E. Garcia, J. Phys. Chem. 100, 1206 (1996).
23. The agreement between the experimental value of the liquid-vapor surface tension with the one from the SPC/E model has been shown in J. Alejandre, D. J. Tildesley, and G. A. Chapela, J. Chem. Phys. 102, 4574 (1995).
24. G. Hummer, L. Pratt, and A. E. Garcia, J. Chem. Phys. 107, 9275 (1997).
25. R. M. Lynden-Bell and J. C. Rasaiah, J. Chem. Phys. 107, 1981 (1997).
26. S. Rajamani, T. Ghosh, and S. Garde, J. Chem. Phys. 120, 4457 (2004).
27. lg.
28. P. G. Bolhuis and D. Chandler, J. Chem. Phys. 113, 8154 (2000).
29. A. A. Louis, P. G. Bolhuis, and J.-P. Hansen, J. Chem. Phys. 117, 1893 (2002).
30. Throughout the work we used the experimental value of the dielectric constant of water. The value for SPC/E water (ε≈71) would not show any difference on the scale used in our figures and was calculated in P. G. Kusalik and I. M. Svishchev, Science 265, 1219 (1994).
31. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984).
32. J.-P. Hansen, Molecular Dynamics Simulation of Statistical Mechanical Systems, edited by G. Ciccotti and W. G. Hoover (North-Holland, Amsterdam, 1986).