Fluids and fluid mixtures containing square-well diatomics: Equations of state and canonical molecular dynamics simulation
نویسندگان
چکیده
منابع مشابه
existence and approximate $l^{p}$ and continuous solution of nonlinear integral equations of the hammerstein and volterra types
بسیاری از پدیده ها در جهان ما اساساً غیرخطی هستند، و توسط معادلات غیرخطی بیان شده اند. از آنجا که ظهور کامپیوترهای رقمی با عملکرد بالا، حل مسایل خطی را آسان تر می کند. با این حال، به طور کلی به دست آوردن جوابهای دقیق از مسایل غیرخطی دشوار است. روش عددی، به طور کلی محاسبه پیچیده مسایل غیرخطی را اداره می کند. با این حال، دادن نقاط به یک منحنی و به دست آوردن منحنی کامل که اغلب پرهزینه و ...
15 صفحه اولStructure 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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Analytic expressions were derived for the compressibility factor and residual internal energy of the square-well plus Sutherland fluid. In this derivation, we used the second order Barker-Henderson perturbation theory based on the macroscopic compressibility approximation together with an analytical expression for radial distribution function of the reference hard sphere fluid. These properties...
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متن کاملThermal Conductivity of Square-Well Fluids
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: The Journal of Chemical Physics
سال: 1997
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.474749