MC simulation results for a hard core model of carbon tetrachloride |
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| Authors: | Ivo Nezbeda Horst L Vörtler |
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| Institution: | Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, Suchdol , 165 02, Prague, Czechoslovakia |
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| Abstract: | Monte Carlo simulations on a hard tetrahedron fluid (hard core model of CCl4) have been performed. The average site-site correlation functions, their generalized (1, 0, 0) spherical harmonic expansion coefficients, equation of state, and virial coefficients have been calculated and compared with theoretical methods currently available. The RISM equation is less accurate for the model studied than for simpler models considered so far. For the equation of state the best results are obtained from the Boublik-Nezbeda equation which agrees with the simulation results throughout the density range considered. |
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