Calculation of diffusion coefficients for carbon dioxide + solute system near the critical conditions by non-equilibrium molecular dynamics simulation
نویسندگان
چکیده
منابع مشابه
Non-equilibrium Molecular Dynamics Calculation of the Transport Properties of Carbon Dioxide
We compute the thermal conductivity and diffusion coefficient of supercritical carbon dioxide along the 313 K isotherm using non-equilibrium molecular dynamics. Comparisons are made with experiment at four densities corresponding to pressures of 30, 70, 200 and 500 bar. Two intermolecular potential models for carbon dioxide are compared. INTRODUCTION In a previous paper (Wang and Cummings, 1988...
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ژورنال
عنوان ژورنال: Fluid Phase Equilibria
سال: 2004
ISSN: 0378-3812
DOI: 10.1016/j.fluid.2004.01.014