Structure and thermodynamics of square-well and square-shoulder fluids
نویسندگان
چکیده
منابع مشابه
Structure and thermodynamics of square-well and square-shoulder fluids
We have reinvestigated the structural and thermodynamic properties of the squarewell and the square-shoulder system using two different theoretical frameworks, i.e., the optimized random-phase approximation and the Rogers–Young integral equation. We discuss the limits of applicability of the respective concepts and compare the results with ‘exact’ Monte Carlo simulation results and with data ob...
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A Born–Green–Yvon integral equation approach is used to study the structure and phase behavior of a fluid of fused square-well-sphere dimers. We compute site–site distribution functions for dimers with bond lengths of L50.6s , 0.8s, and 1.0s ~where s is the hard-sphere diameter! and square-well diameters ranging from l51.25s to 2.0s over a wide range of temperature and density, and make compari...
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By assuming a Boltzmann distribution for the molecular equilibrium between local and bulk environments, a general model is derived for the prediction of coordination numbers and local compositions of square-well and square-shoulder fluids. The model has no empirical parameter fitted from the data of square-well and square-shoulder fluids, but is valid from the low-density limit to the high-dens...
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The thermal conductivity of a system consisting of square-well particles has been determined by the extension of the Enskog formula of the hard-sphere model to square-well fluid. The approach is the same as applied for the diffusion coefficients and shear viscosity of square-well fluid. The addition of an attractive part in the hard-sphere potential such as square-well potential remains insensi...
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ژورنال
عنوان ژورنال: Journal of Physics: Condensed Matter
سال: 1999
ISSN: 0953-8984,1361-648X
DOI: 10.1088/0953-8984/11/50/308