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Molecular dynamics study of the temperature dependence of the interfacial thickness in two-dimensional fluid phases (1990)

Chen, L.-J. ; Robert, M. ; Shukla, K. P.

College Park, Md. : American Institute of Physics (AIP)

The Journal of Chemical Physics 93 (1990), S. 8254-8259

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ISSN: 1089-7690

Source: AIP Digital Archive

Topics: Physics , Chemistry and Pharmacology

Notes: The thickness of the interface between two-dimensional fluid phases is determined as a function of temperature by using the method of molecular dynamics. The model fluid is one of particles interacting via a truncated Lennard-Jones potential. Periodic boundary conditions are used and no macroscopic external field such as gravity is imposed. The temperature is varied between that of the triple point to values as close to the critical point as is consistent with the finiteness of the system studied on the computer. Because of the relatively small interfacial area probed in these simulations, long-wavelength capillary waves are strongly suppressed and within statistical uncertainty, the results for the interfacial thickness are found to be consistent with the prediction of the nonclassical van der Waals theory of the intrinsic interface.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1063/1.459305

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Theory of interfacial phase transitions in surfactant systems (1991)

Shukla, K. P. ; Payandeh, B. ; Robert, M.

Springer

Journal of statistical physics 63 (1991), S. 1053-1075

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ISSN: 1572-9613

Keywords: Water-oil-surfactant systems ; interfacial composition profiles and tensions ; wetting transition ; Ising model

Source: Springer Online Journal Archives 1860-2000

Topics: Physics

Notes: Abstract The spin-1 Ising model, which is equivalent to the three-component lattice gas model, is used to study wetting transitions in three-component surfactant systems consisting of an oil, water, and a nonionic surfactant. Phase equilibria, interfacial profiles, and interfacial tensions for three-phase equilibrium are determined in mean field approximation, for a wide range of temperature and interaction parameters. Surfactant interaction parameters are found to strongly influence interfacial tensions, reducing them in some cases to ultralow values. Interfacial tensions are used to determine whether the middle phase, rich in surfactant, wets or does not wet the interface between the oil-rich and water-rich phases. By varying temperature and interaction parameters, a wetting transition is located and found to be of the first order. Comparison is made with recent experimental results on wetting transitions in ternary surfactant systems.