论文信息 - Excess thermodynamic properties of mixtures of Lennard-Jones liquids

Excess thermodynamic properties of mixtures of Lennard-Jones liquids

The results of Monte Carlo calculations in the isothermal-isobaric ensemble are reported for a series of binary mixtures of Lennard-Jones liquids at zero pressure and a temperature of 115·8 K. In the case of equimolar mixtures comparison is made with the predictions of several recently developed theories of liquid mixtures. Particularly good results for excess Gibbs free energy and enthalpy are obtained from the variational theory of Mansoori and Leland and for excess volume from the one-fluid version of the so-called van der Waals model.

I. R. Mcdonald

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