Molecular dynamics simulations of simple dipolar liquids in spherical cavity: Effects of confinement on structural, dielectric, and dynamical properties

Journal of Chemical Physics

Volumn 111, Issue 3, 1999, Pages 1223-1230

  Senapati, Sanjib ^a   Chandra, Amalendu ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DENSITY OF LIQUIDS; MOLECULAR ORIENTATION; MOLECULAR STRUCTURE; PERMITTIVITY; RELAXATION PROCESSES; SOLVENTS;

STOCKMAYER LIQUIDS;

MOLECULAR DYNAMICS;

EID: 0032613583     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.479307     Document Type: Article

References (45)

1. J. N. Israelachvili, Intermolecular and Surface Forces (Academic, New York, 1992).
2. M. Belletete, M. Lachapelle, and G. Durocher, J. Phys. Chem. 94, 5337 (1990).
3. J. Guha Ray and P. K. Sengupta, Chem. Phys. Lett. 230, 75 (1994).
4. S. Mashimo, S. Kuwabara, S. Yagihara, and K. Higasi, J. Phys. Chem. 91, 6337 (1987).
5. M. Fukazaki, N. Miura, N. Shiyasilki, D. Kunita, S. Shioya, M. Haida, and S. Mashimo, J. Phys. Chem. 99, 431 (1995).
6. P. O. Quist and B. Halle, J. Chem. Soc., Faraday Trans. 1 84, 1033 (1988).
7. D. Brown and J. H. R. Clarke, J. Phys. Chem. 92, 2881 (1988).
8. R. E. Riter, D. M. Willard, and N. E. Levinger, J. Phys. Chem. B 102, 2705 (1998).
9. N. Sarkar, K. Das, A. Dutta, S. Das, and K. Bhattacharya, J. Phys. Chem. 100, 10523 (1996).
10. A. Dutta, D. Mandai, S. K. Pal, and K. Bhattacharya, J. Phys. Chem. B 101, 10221 (1997).
11. S. Vajda, R. Jimenez, S. Rosenthal, V. Fidler, G. R. Fleming, and E. W. Castner, Jr., J. Chem. Soc., Faraday Trans. 91, 867 (1995).
12. N. Nandi and B. Bagchi, Indian J. Chem. 34A, 845 (1995);
13. J. Phys. Chem. 100, 13914 (1996).
14. A. C. Belch and M. Berkowitz, Chem. Phys. Lett. 113, 278 (1985).
15. M. S. P. Sanson, I. D. Kerr, J. Breed, and R. Sankararamakrishnan, Biophys. J. 70, 693 (1996).
16. L. Zhang, H. T. Davis, D. M. Kroll, and H. S. White, J. Phys. Chem. 99, 2878 (1995).
17. R. M. Lynden-Bell and J. C. Rasaiah, J. Chem. Phys. 105, 9266 (1996).
18. S. W. Chiu, E. Jakobsson, S. Subramanian, and J. A. McCammon, Biophys. J. 60, 273 (1991).
19. D. H. J. McKay, P. H. Berens, K. R. Wilson, and A. J. Hagler, Biophys. J. 46, 229 (1984).
20. P. C. Jordan, J. Phys. Chem. 91, 6582 (1987);
21. Biophys. J. 58, 1133 (1990).
22. J. Aquist and A. Warshel, J. Chem. Phys. 56, 171 (1989).
23. B. Roux and K. Karplus, Annu. Rev. Biophys. Biomol. Struct. 23, 731 (1994).
24. J. Breed, R. Sankararamakrishnan, I. D. Kerr, and M. S. P. Sansom, Biophys. J. 70, 1643 (1996).
25. M. A. Young, B. Jayaram, and D. L. Beveridge, J. Phys. Chem. B 102, 7666 (1998).
26. W. H. Stockmayer, J. Chem. Phys. 9, 398 (1941).
27. B. Bagchi, Annu. Rev. Phys. Chem. 40, 115 (1989).
28. P. Barbara and W. Jarzeba, Adv. Photochem. 15, 1 (1990).
29. G. R. Fleming and P. G. Wolynes, Phys. Today 43, 36 (1990).
30. B. Bagchi and A. Chandra, Adv. Chem. Phys. 80, 1 (1991).
31. M. Maroncelli, J. Mol. Liq. 57, 1 (1993).
32. R. M. Stratt, Acc. Chem. Res. 28, 201 (1995).
33. S. W. de Leeuw, J. W. Perram, and E. R. Smith, Annu. Rev. Phys. Chem. 37, 245 (1986);
34. Proc. R. Soc. London, Ser. A 373, 27 (1980);
35. Proc. R. Soc. London, 388, 177 (1983).
36. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, London, 1987).
37. S. Senapati and A. Chandra, Chem. Phys. 231, 65 (1998);
38. J. Mol. Struct.: THEOCHEM 455, 1 (1998).
39. S. Senapati and A. Chandra, Chem. Phys. 242, 353 (1999).
40. D. J. Berendsen, "Molecular Dynamics and Monte Carlo Calculations on Water," CECAM Report (1972).
41. D. J. Adams and I. R. McDonald, Mol. Phys. 32, 931 (1976).
42. J. G. Powles, R. F. Fowler, and W. A. B. Evans, Chem. Phys. Lett. 107, 280 (1984).
43. I. G. Bossis, Mol. Phys. 38, 2023 (1979).
44. H. Frohlich, Theory of Dielectrics (Clarendon, Oxford, 1949).
45. J. P. Hansen and I. R. McDonald, Theory of Simple Liquids (Academic, London, 1986).