Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture
نویسندگان
چکیده
منابع مشابه
The bulk viscosity of a symmetrical Lennard–Jones mixture above and at liquid–liquid coexistence: A computer simulation study
Abstract A Lennard–Jones model of a binary dense liquid (A,B) with a symmetrical miscibility gap is investigated by means of computer simulation methods. Semigrand–canonical Monte Carlo simulations yield the phase diagram in the T–x plane (T : temperature, x: concentration of A or B particles) as well as equilibrated configurations at coexistence. Then Molecular Dynamics simulations use these c...
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Using Monte Carlo simulation and mean-field calculations, we study the liquid-vapor phase diagram of a square-well binary fluid mixture as a function of a parameter d measuring the relative strength of interactions between particles of dissimilar and similar species. The results reveal a rich variety of liquid-vapor coexistence behaviors as d is tuned. Specifically, we uncover critical end poin...
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The dependence of the dynamic properties of liquid metals and Lennard-Jones fluids on the characteristics of the interaction potentials is analyzed. Molecular-dynamics simulations of liquids in analogous conditions but assuming that their particles interact either through a Lennard-Jones or a liquid-metal potential were carried out. The Lennard-Jones potentials were chosen so that both the effe...
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A formally exact Kirkwood-Buff virial formula for the surface tension of a supersaturated interface is derived. A modified Gibbs ensemble method is given that allows the creation of interacting supersaturated phases of equal chemical potential, and which enables the Kirkwood-Buff formula to be applied. The methods are tested by Monte Carlo simulation of a supersaturated Lennard-Jones fluid with...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2015
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4930276