We report the study of the phase diagram of a three-dimensional continuum model of symmetrical ternary amphiphilic mixtures, representing water, oil, and surfactant, using mean-field approximations as well as Monte Carlo simulations. In line with the results of various lattice models, the continuum model exhibits a region of three-(isotropic) liquid-phase coexistence consisting of water-rich, oil-rich, and surfactant-rich phases. The dependence of the phase diagram on the strength of the anisotropic water–(oil–)surfactant interactions is investigated using a modified mean-field approximation that takes into account, at the lowest level of approximation, the contribution of the water–(oil–)surfactant correlations. The phase behavior of the model ternary mixture is further examined using Monte Carlo simulation techniques in the semigrand canonical ensemble. The results of the simulations for symmetrical mixtures are consistent with the existence of a region of three-(isotropic) liquid-phase coexistence below a tricritical point. This region is analyzed in more detail using the Gibbs Monte Carlo simulation technique. It is shown that the simulation results are in qualitative agreement with the theoretical predictions.
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22 October 1997
Research Article|
October 22 1997
Phase equilibria of model ternary mixtures: Theory and computer simulation Available to Purchase
J. Chem. Phys. 107, 6366–6378 (1997)
Article history
Received:
February 18 1997
Accepted:
July 18 1997
Citation
Enrique de MiguelMargarida M. Telo da Gama; Phase equilibria of model ternary mixtures: Theory and computer simulation. J. Chem. Phys. 22 October 1997; 107 (16): 6366–6378. https://doi.org/10.1063/1.474297
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