Abstract
In these notes a simple oil/water/surfactant model is presented. This model contains only the most obvious elements: oil and water do not mix and a surfactant is a molecule of which one end ‘ikes’ oil but ‘dislikes’ water and the other end dislikes oil but likes water. Computer simulations have been performed to study the effects of changes in the chemical structure of these model surfactants on various interfacial properties. Simulations on a large oil/water/surfactant system show a surprisingly rich structural detail. Micelles are formed spontaneously in the water phase and a monolayer of surfactants is formed at the interface.
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References
H. Wennerström and Lindman, Physics Reports 52, 1–86 (1979).
K.L Mittal and B. Lindman eds, Surfactants in Solution. Plenum, New York (1984).
Y. Chevalier and T. Zemb, Rep. Prog. Phys. 53, 279–371 (1990).
G. Gompper and M. Schick “Lattice theories of microemulsions,” in Modern Ideas and Problems in Amphiphilic Science, (W.M. Gelbart, D. Roux and A. Ben-Shaul, eds.) (1990).
P. Van der Ploeg and H.J.C. Berendsen, Molec. Phys. 49, 233 (1983).
E. Egberts and H.J.C. Berendsen, J. Chem. Phys. 89, 3718–3732 (1988).
B. Owenson and L.R. Pratt, J. Phys. Chem. 88, 6048–6052 (1984).
S.W. Haan and L.R. Pratt, Chemical Physics Letters 79, 436–440 (1981).
B. Owenson and L.R. Pratt, J. Phys. Chem. 88, 2905–2915 (1984).
J.M. Haile and J.P. O’Connel, J. Phys. Chem. 88, 6363 (1984).
M.C. Woods, J.M. Haile and J.P. O’Connel, J. Phys. Chem. 90, 1875–1885 (1986).
B. Jonsson, O. Edholm and O.J. Teleman, J. Chem. Phys. 85, 2259 (1986).
K. Watanabe, M. Ferrario and M.L. Klein, J. Phys. Chem. 92, 819–821 (1988).
K. Watanabe and M.L. Klein, J. Phys. Chem. 93, 6897–6901 (1989).
D. Brindle and C.M. Care, Molec. Simulations 5, 345–351 (1990).
S. Karaborni and J.P. O’Connel, Langmuir 6, 905 (1990).
S. Karaborni and J.P. O’Connel, J. Phys. Chem. 94, 2624–2631 (1990).
B. Smit, Phys. Rev. A 37, 3431–3433 (1988).
B. Smit, A.G. Schlijper, L.A.M. Rupert and N.M. van Os, J. Chem. Phys. 69, 6934–6935 (1990).
B. Smit, P.A.J. Hilbers, K. Esselink, L.A.M. Rupert, N.M. van Os and A.G. Schlijper,Nature 348, 624–625 (1990).
B. Smit, Computer Simulation of Phase Coexistence: from Atoms to Surfactants. PhD thesis, Rijksuniversiteit Utrecht, The Netherlands, 1990.
B. Smit, P.A.J. Hilbers, K. Esselink, L.A.M. Rupert, N.M. van Os and A.G. Schlijper,J. Phys. Chem. (in press), (1991).
E.M. Lee, R.K. Thomas, J. Penfold and R.C. Ward, J. Phys. Chem. 93, 381–388 (1989).
E.M. Lee, E.A. Simister, R.K. Thomas and J. Penfold, Colloque de Physique C 50,75–81 (1989).
E.M. Lee, E.A. Simister, R.K. Thomas and J. Penfold, Progr. Colloid. Polym. Sci.82, 99–103 (1990).
J. Meunier, J. Physique Lett. 46, L-1005–1014 (1985).
D. Beaglehole, M.T. Clarkson and A. Upton, J. Coloid Interface Sci. 101, 330 (1984).
J.C. Wheeler and B. Widom, J. Am. Chem. Soc. 90, 3064 (1968).
B. Widom, J. Phys. Chem. 88, 6508–6514 (1984).
B. Widom, Langmuir 3, 12–17 (1987).
F.H. Stillinger, J. Chem. Phys. 78, 4654–4661 (1983).
M.M. Telo da Gama and K.E. Gubbins, Molec. Phys. 59, 227–239 (1986).
J.P.R.B. Walton, D.J. Tildesley and J.S. Rowlinson, Molec. Phys. 48, 1357–1368 (1983).
I. Szleifer, Statistical Thermodynamics of Amphiphilic Aggregates. PhD thesis, Hebrew University Jerusalem, 1988.
I. Szleifer, A. Ben-Shaul and W.M. Gelbart, J. Phys. Chem. 94, 5081–5089 (1990).
K. Esselink, P.A.J. Hilbers and B. Smit, in preparation, (1991).
B.J. Alder and T.E.J. Wainwright, J. Chem. Phys. 27, 1208–1209 (1957).
D. Frenkel, H.N.W. Lekkerkerker and A. Stroobants, Nature 332, 822–823 (1988).
P. Tarazona, U. Marini Bettolo Marconi and R. Evans, Molec. Phys. 60, 573 (1987).
S. Leibler, Nature 348, 586–587 (1990).
G. Gompper and M. Schick, Phys. Rev. Lett. 65, 1116–1119 (1990).
K.A. Dawson, Phys. Rev. A 35, 1987 (1987).
A.H. Beesley, D.F. Evans and R.G. Laughlin, J. Phys. Chem. 92, 791–793 (1988).
D. Frenkel and B. Smit, (submitted) , (1991).
M. Mareschal, preprint (1990).
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© 1992 Springer Science+Business Media Dordrecht
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Smit, B., Hilbers, P.A.J., Esselink, K. (1992). Computer simulations of surfactants at a liquid/liquid interface. In: Chen, SH., Huang, J.S., Tartaglia, P. (eds) Structure and Dynamics of Strongly Interacting Colloids and Supramolecular Aggregates in Solution. NATO ASI Series, vol 369. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-2540-6_25
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DOI: https://doi.org/10.1007/978-94-011-2540-6_25
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