Structural and dynamic properties of concentrated alkali halide solutions: A molecular dynamics simulation study

Journal of Physical Chemistry B

Volumn 111, Issue 1, 2007, Pages 209-217

  Hao, Du ^a   Rasaiah, Jayendran C ^b   Miller, Jan D ^a  

^a UNIVERSITY OF UTAH   (United States)

^b University of Maine   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDRATION; HYDROPHOBICITY; IONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE;

HYDROPHOBIC PARTICLES; MOLECULAR DYNAMICS SIMULATION; WATER MOLECULES;

ALKALI METALS;

EID: 33847130148     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp064659o     Document Type: Article

References (53)

1. Nickolov, Z. S.; Miller, J. D. J. Colloid Interface Sci. 2005, 287, 572.
2. Luck, W. A. P.; Schioeberg, D. Adv. Mol. Relax. Interact. Processes 1979, 14, 277.
3. Luck, W. A. P. Water. Compr. Treatise 1973, 3, 211.
4. Luck, W. A. P. Proc. Int. Symp. Fresh Water Sea, 4th 1973, 4, 531.
5. Max, J.-J.; Chapados, C. J. Chem. Phys. 2000, 113, 6803.
6. Max, J.-J.; Chapados, C. J. Chem. Phys. 2001, 115, 2664.
7. Max, J.-J.; De Blois, S.; Veilleux, A.; Chapados, C. Can. J. Chem. 2001, 79, 13.
8. Terpstra, P.; Combes, D.; Zwick, A. J. Chem. Phys. 1990, 92, 65.
9. Dillon, S. R.; Dougherty, R. C. J. Phys. Chem. A 2002, 106, 7647.
10. Kaminsky, M. Z. Phys. Chem. (Muenchen, Germany) 1957, 12, 206.
11. Kaminsky, M. Z. Naturforsch. 1957, 12a, 424.
12. Bryant, R. G. Annu. Rev. Biophys. Biomol. Struct. 1996, 25, 29.
13. Dang, L. X. J. Am. Chem. Soc. 1995, 117, 6954.
14. Dang, L. X. Book of Abstracts; 214th ACS National Meeting, Las Vegas, NV, September 7-11, 1997; American Chemical Society: Washington, DC, 1997; PHYS.
15. Hancer, M.; Celik, M. S.; Miller, J. D. J. Colloid Interface Sci. 2001, 235, 150.
16. Lynden-Bell, R. M.; Rasaiah, J. C. J. Chem. Phys. 1997, 107, 1982.
17. Koneshan, S.; Rasaiah, J. C.; Lynden-Bell, R. M.; Lee, S. H. J. Phys. Chem. B 1998, 102, 4193.
18. Licheri, G.; Piccaluga, G.; Pinna, G. Chem. Phys. Lett. 1975, 35, 119.
19. Licheri, G.; Piccaluga, G.; Pinna, G. Rend. Semin. Fac. Sci. Univ. Cagliari 1972, 42, 85.
20. Licheri, G.; Piccaluga, G.; Pinna, G. Gazz. Chim. Ital. 1972, 102, 847.
21. Lawrence, R. M.; Kruh, R. F. J. Chem. Phys. 1967, 47, 4758.
22. Soper, A. K. J. Phys.: Condens. Matter 1997, 9, 2717.
23. Enderby, J. E.; Cummings, S.; Herdman, G. J.; Neilson, G. W.; Salmon, P. S.; Skipper, N. J. Phys. Chem. 1987, 91, 5851.
24. Enderby, J. E. NATO ASI Ser., Ser. C 1987, 205, 129.
25. Yamagami, M.; Wakita, H.; Yamaguchi, T. J. Chem. Phys. 1995, 103, 8174.
26. Berendsen, H. J. J. Comput.-Aided Mol. Des. 1988, 2, 217.
27. Berendsen, H. J. C.; Van Gunsteren, W. F. NATO ASI Ser., Ser. C 1984, 135, 475.
28. Dang, L. X. J. Chem. Phys. 1992, 97, 1614.
29. Haile, J. M. Molecular Dynamics Simulation: Elementary Methods; Wiley: New York, 1997.
30. Uchida, H.; Matsuoka, M. Fluid Phase Equilib. 2004, 219, 49.
31. Koneshan, S.; Lynden-Bell, R. M.; Rasaiah, J. C. J. Am. Chem. Soc. 1998, 120, 12041.
32. Lee, S. H.; Rasaiah, J. C. J. Phys. Chem. 1996, 100, 1420.
33. Lee, S. H.; Rasaiah, J. C. J. Chem. Phys. 1994, 101, 6964.
34. Lynden-Bell, R. M.; Rasaiah, J. C. J. Chem. Phys. 1996, 105, 9266.
35. Dang, L. X. Chem. Phys. Lett. 1992, 200, 21.
36. Dang, L. X.; Smith, D. E. J. Chem. Phys. 1993, 99, 6950.
37. Dang, L. X. Chem. Phys. Lett. 1994, 227, 211.
38. Dang, L. X.; Smith, D. E. J. Chem. Phys. 1995, 102, 3483.
39. Smith, G. D.; Jaffe, R. L.; Partridge, H. J. Phys. Chem. A 1997, 101, 1705.
40. Chowdhuri, S.; Chandra, A. J. Chem. Phys. 2001, 115, 3732.
41. Chowdhuri, S.; Chandra, A. J. Chem. Phys. 2003, 118, 9719.
42. Smith, D. E.; Dang, L. X. J. Chem. Phys. 1994, 100, 3757.
43. . Smith, D. E.; Dang, L. X. Chem. Phys. Lett. 1994, 230, 209.
44. Dang, L. X. J. Chem. Phys. 1992, 96, 6970.
45. Smith, W.; Forester, T. R. J. Mol. Graphics 1996, 14, 136.
46. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
47. Melchionna, S.; Ciccotti, G.; Holian, B. L. Mol. Phys. 1993, 78, 533.
48. Impey, R. W.; Madden, P. A.; McDonald, I. R. J. Phys. Chem. 1983, 87, 5071.
49. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Oxford University Press: New York, 1987.
50. Koneshan, S.; Rasaiah, J. C. J. Chem. Phys. 2000, 113, 8125.
51. Daivis, P. J.; Travis, K. P.; Todd, B. D. J. Chem. Phys. 1996, 104, 9651.
52. Mondello, M.; Grest, G. S. J. Chem. Phys. 1997, 106, 9327.
53. Jiang, J.; Sandler, S. I. Ind. Eng. Chem. Res. 2003, 42, 6267.