Generalized coupling parameter expansion: Application to square well and Lennard-Jones fluids
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چکیده
منابع مشابه
Lennard-Jones Energy Parameter for Pure Fluids from Scaled Particle Theory
By considering the fact that the surface tension of a real fluid arises from a combination of both repulsive and attractive forces between molecules, a new expression for the interfacial tension has been derived from scaled particle theory (SPT) based on the work of cavity formation and the interaction energy between molecules. At the critical temperature, the interfacial tension between c...
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A self-consistent density-functional approach is presented for describing the phase behaviour and interfacial tensions of van der Waals fluids represented by the hard-core Yukawa (HCY), Lennard-Jones (LJ) and square-well (SW) potentials. The excess Helmholtz energy functional is formulated in terms of a modified fundamental measure theory (MFMT) for the shortranged repulsion and a density-gradi...
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Smit and Frenkel’ have shown that the phase diagram of the two-dimensional Lennard-Jones fluid depends largely on the details of the truncation of the potential. In this Note, Gibbs-ensemble calculations are reported for the three-dimensional Lennard-Jones fluid. As expected, the phase diagram for this system also depends significantly on the details of the truncation. The Lennard-Jones potenti...
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During the past few decades molecular dynamics has been a widely applied tool to simulate fluid confined in micro/nano geometries. What makes interfacial fluids fundamentally different from the bulk fluid is the fact that their density varies considerably over microscopic distances. A class of such strongly inhomogeneous fluids are fluids confined in very narrow channels by solid boundaries. In...
متن کاملlennard-jones energy parameter for pure fluids from scaled particle theory
by considering the fact that the surface tension of a real fluid arises from a combination of both repulsive and attractive forces between molecules, a new expression for the interfacial tension has been derived from scaled particle theory (spt) based on the work of cavity formation and the interaction energy between molecules. at the critical temperature, the interfacial tension between coexi...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2013
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4813797