Critical Point and Phase Behavior of the Pure Flu id and a
نویسنده
چکیده
Monte Carlo simulations in the grand canonical ensemble were used to obtain liquid-vapor coexistence curves and critical points of the pure uid and a binary mixture of Lennard-Jones particles. Critical parameters were obtained from mixedeld nite-size scaling analysis and subcritical coexistence data from histogram reweighting methods. The critical parameters of the untruncated Lennard-Jones potential were obtained as T c = 1:3120 0:0007, c = 0:316 0:001 and p c = 0:1279 0:0006. Our results for the critical temperature and pressure are not in agreement with the recent study of Caillol (preprint, 1998) on a four-dimensional hypersphere. Mixture parameters were 1 = 2 2 and 1 = 2, with Lorentz-Berthelot combining rules for the unlike-pair interactions. We determined the critical point at T = 1:0 and pressure-composition diagrams at three temperatures. Our results have much smaller statistical uncertainties relative to comparable Gibbs ensemble simulations. Typeset using REVTEX To whom correspondence should be addressed. E-mail:[email protected]
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