Molecular dynamics study of the poly(oxyethylene) surfactant C12E2 and water

Langmuir

Volumn 16, Issue 3, 2000, Pages 942-946

  Bandyopadhyay, Sanjoy ^a   Tarek, Mounir ^a,b   Lynch, Matthew L ^c   Klein, Michael L ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^c PROCTER AND GAMBLE COMPANY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY MIXTURES; COMPUTER SIMULATION; CONFORMATIONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; PHASE COMPOSITION; POLYETHYLENE GLYCOLS; PRESSURE; TEMPERATURE; WATER; X RAY DIFFRACTION ANALYSIS;

GAUCHE CONFORMATION; LIQUID CRYSTALLINE LAMELLAR PHASE;

SURFACE ACTIVE AGENTS;

EID: 0034620361     PISSN: 07437463     EISSN: None     Source Type: Journal    
DOI: 10.1021/la9909493     Document Type: Article

References (32)

1. Laughlin, R. G. The Aqueous Phase Behavior of Surfactants; Academic Press: New York, 1994.
2. Mitchell, D. J.; Tiddy, G. J. T.; Waring, L.; Bostock, T.; McDonald, M. P. J. Chem. Soc., Faraday Trans. 1 1983, 79, 975-1000.
3. Roux, D.; Coulon, C.; Cates, M. E. J. Phys. Chem. 1992, 96, 4174-4187.
4. Fairhurst, C. E.; Holmes, M. C.; Leaver, M. S. Langmuir 1997, 13, 4964-4975.
5. Funari, S. S.; Holmes, M. C.; Tiddy, G. J. T. J. Phys. Chem. 1994, 98, 3015-3023.
6. Funari, S. S.; Rapp, G. J. Phys. Chem. B 1997, 101, 732-739.
7. Lynch, M. L.; Kochvar, K. A.; Burns, J. L.; Laughlin, R. G. J. Phys. Chem., submitted for publication.
8. Andersson, M.; Karlström, G. J. Phys. Chem. 1985, 89, 4957-4962.
9. Viti, V.; Zampetti, P. Chem. Phys. 1973, 2, 233-238.
10. Viti, V.; Indovina, P. L.; Podo, F.; Radics, L.; Nemety, G. Mol. Phys. 1974, 27, 541-559.
11. Karlström, G. J. Phys. Chem. 1985, 89, 4962-4964.
12. Ahlnäs, T.; Karlström, G.; Lindman, B. J. Phys. Chem. 1987, 91, 4030-4036.
13. Kong, Y. C.; Nicholson, D.; Parsonage, N. G.; Thompson, L. J. Chem. Soc., Faraday Trans. 1994, 90, 2375-2380.
14. Kong, Y. C.; Nicholson, D.; Parsonage, N. G.; Thompson, L. J. Chem. Soc., Faraday Trans. 1995, 91, 4261-4268.
15. Tasaki, K. J. Am. Chem. Soc. 1996, 118, 8459-8469.
16. Lu, J. R.; Li, Z. X.; Su, T. J.; Thomas, R. K.; Penfold, J. Langmuir 1993, 9, 2408-2416.
17. Martyna, G. J.; Tuckerman, M. E.; Tobias, D. J.; Klein, M. L. Mol. Phys. 1996, 87, 1117-1157.
18. Martyna, G. J.; Samuelson, S.; Hughs, A.; Tobias, D. J.; Yarne, D.; Klein, M. L.; Tuckerman, M. E. Preprint.
19. Darden, T.; York, D.; Pedersen, L. J. Chem. Phys. 1993, 98, 10089.
20. Allen, M. P.; Tildesley, D. J. Computer Simulation of Liquids; Clarendon: Oxford, U.K., 1987.
21. Berendsen, H. J. C.; Grigera, J. R.; Straatsma, T. P. J. Phys. Chem. 1987, 91, 6269.
22. Martin, M. G.; Siepmann, J. I. J. Phys. Chem. B 1998, 102, 2569-2577.
23. Jorgensen, W. L. J. Phys. Chem. 1986, 90, 1276-1284.
24. Briggs, J. M.; Matsui, T.; Jorgensen, W. L. J. Comput. Chem. 1990, 11, 958-971.
25. Jorgensen, W. L.; Chandrasekhar, J.; Madura, J. D.; Impey, R. W.; Klein, M. L. J. Chem. Phys. 1983, 79, 926-935.
26. Tarek, M.; Tobias, D. J.; Klein, M. L. J. Phys. Chem. 1995, 99, 1393-1402.
27. Tu, K.; Tobias, D. J.; Blasie, J. K.; Klein, M. L. Biophys. J. 1996, 70, 595-608.
28. Bandyopadhyay, S.; Klein, M. L.; Martyna, G. J.; Tarek, M. Mol. Phys. 1998, 95, 377-384.
29. Schweighofer, K. J.; Essmann, U.; Berkowitz, M. J. Phys. Chem. B 1997, 101, 10775-10780.
30. Forester, T. R.; Smith, W.; Clarke, J. H. R. J. Chem. Soc., Faraday Trans. 1997, 93, 613-619.
31. Heymann, B.; Grubmüller, H. Chem. Phys. Lett. 1999, 307, 425-432.
32. Shelley, J. C.; Sprik, M.; Klein, M. L. Langmuir 1993, 9, 916-926.