Monte Carlo calculation of thermodynamic properties of binary mixtures of Lennard-Jones (12-6) liquids
作者： J.V.L. Singer , K. Singer
DOI: 10.1080/00268977200101511
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摘要: Calculations have been carried out for binary equimolar mixtures of Lennard-Jones (12-6) liquids conforming to the combination rules e12 2 = e11e22 and 2σ12 σ11 + σ22. The results cover parameter range with at 97 K 117 K; they include free energies, enthalpies, volumes chemical potentials. effect small deviations from is examined comparisons are predictions van der Waals 1- 2-fluid theories experimental data 9 real mixtures.
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