The molecular structure of sodium octanoate micelles studied by molecular dynamics computer experiments

Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics

Volumn 101, Issue 10, 1997, Pages 1485-1492

  Kuhn, Hubert ^a   Rehage, Heinz ^a  

^a UNIVERSITY OF DUISBURG ESSEN   (Germany)

Author keywords

Colloides; Micelles; Molecular Dynamics Computer Experiments; Molecular Structure

Indexed keywords

EID: 33646942957     PISSN: 0940483X     EISSN: None     Source Type: Journal    
DOI: 10.1002/bbpc.199700011     Document Type: Article

References (39)

1. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1987.
2. W.F. van Gunsteren and H. J.C. Berendsen, Angew. Chem. 102, 1020 (1990).
3. K.V. Damodaran and K.M. Merz, Jr., in: Reviews in Computational Chemistry, Vol. 5, p. 269, ed. by K.B. Lipkowitz and D.B. Boyd, VCH Publishers, Inc., New York, 1994.
4. J.M. Haile and J.P. O'Connell, J. Phys. Chem. 88, 6363 (1984).
5. B. Jönsson, O. Edholm, and O. Teleman, J. Chem. Phys. 85, 2259 (1986).
6. M.C. Woods, J.M. Haile, and J.P. O'Connell, J. Phys. Chem. 90, 1875 (1986).
7. K. Watanabe, M. Ferrario, and M. L. Klein, J. Phys. Chem. 92, 819 (1988).
8. J.J. Wendoloski, S.J. Kimatian, C.E. Schutt, and F.R. Salemme, Science 243, 636 (1989).
9. K. Watanabe and M. L. Klein, J. Phys. Chem. 93, 6897 (1989).
10. J.C. Shelley, K. Watanabe, and M.L. Klein, Intl. J. Quant. Chem. Quant. Biol. Symp. 77, 103 (1990).
11. S. Karaborni and J.P. O'Connell, J. Phys. Chem. 94, 2624 (1990).
12. J. Shelley, K. Watanabe, and M. L. Klein, Electrochim. Acta 36, 1729 (1991).
13. S. Karaborni and J.P. O'Connell, Tenside Surf. Det. 30, 235 (1993).
14. J.C. Shelley, M. Sprik, and M.L. Klein, Langmuir 9, 916 (1993).
15. M. Sprik and J.C. Shelley, Tenside Surf. Det. 30, 243 (1993).
16. J. Böcker, J. Brickmann, and P. J. Bopp, J. Phys. Chem. 98, 712 (1994).
17. L. Laaksonen and J.B. Rosenholm, Chem. Phys. Lett. 216, 429 (1993).
18. A.D. MacKerell, J. Phys. Chem. 99, 1846 (1995).
19. P.K. Weiner and P.A. Kollman, J. Comp. Chem. 2, 287 (1981).
20. S.J. Weiner, P.A. Kollman, D.A. Case, U.C. Singh, C. Ghio, G. Alagona, S. Profeta, and P. Weiner, J. Am. Chem. Soc. 106, 765 (1984).
21. S.J. Weiner, P.A. Kollman, D.T. Nguyen, and D.A. Case, J. Comp. Chem. 7, 230 (1986).
22. B.R. Brooks, R.E. Bruccoleri, B.D. Olafson, D.J. States, S. Swaminathan, M. Karplus, J. Comp. Chem. 4, 187 (1983).
23. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, and J. Hermans, in: Intermolecular Forces, p. 331, ed. by B. Pullman, Reidel, Dordrecht, Holland, 1981.
24. W.L. Jorgensen, J. Chandrasekhar, J.D. Madura, R.W. Impey, and M. L. Klein, J. Chem. Phys. 79, 926 (1983).
25. M. D'Angelo, G. Onori, and A. Santucci, Progr. Colloid Polym. Sci. 97, 154 (1994).
26. J.B. Hayter and T. Zemb, Chem. Phys. Lett. 93, 91 (1982).
27. D.H. Kitson and A.T. Hagler, Biochemistry, 27, 5246 (1988).
28. L. Verlet, Phys. Rev. 159, 98 (1967).
29. W.H. Press, B.P. Flannery, S.A. Teukolsky, and W.T. Vetterling, Numerical Recipes, Cambridge University Press, London New York, 1986.
30. H.J.C. Berendsen, J.P.M. Postma, W.F. van Gunsteren, A. DiNola, and J.R. Haak, J. Chem. Phys. 81, 3684 (1984).
31. Program DISCOVER, Ver. 2.9.5, Molecular Simulation Inc., San Diego, USA, 1995.
32. M. Picquart and G. Lacrampe, J. Phys. Chem. 96, 9114 (1992).
33. J.B. Rosenholm, K. Larsson, and N. Dinh-Nguyen, Colloid Polymer Sci. 255, 1098 (1977).
34. B.-O. Persson, T. Drakenberg, and B. Lindman, J. Phys. Chem. 80, 2124 (1976).
35. T. Zemb and C. Chachaty, Chem. Phys. Lett. 88, 68 (1982).
36. B. Hayter, M. Hayoun, and T. Zemb, Colloid Polymer Sci. 262, 798 (1984).
37. D. Stauffer, N. Jan, Y. He, and R.B. Pandey, J. Chem. Phys. 100, 6934 (1994).
38. A.T. Bernardes, V.B. Henriques, and P.M. Bisch, J. Chem. Phys. 101, 645 (1994).
39. N. Jan and D. Stauffer, J. Phys. (France) 4, 345 (1994).