Monte Carlo simulations of binary Lennard-Jones mixtures: A test of the van der Waals one-fluid model

被引:3
|
作者
Meier, K
Tillner-Roth, R
Kabelac, S
Edwards, TJ
机构
[1] Univ Hannover, Inst Thermodynam, D-30167 Hannover, Germany
[2] Univ Western Australia, Ctr Oil & Gas Engn, Nedlands, WA 6907, Australia
关键词
heat capacity; internal energy; Lennard-Jones mixture; Monte Carlo simulation; van der Waals one-fluid model;
D O I
10.1023/A:1022614200488
中图分类号
O414.1 [热力学];
学科分类号
摘要
Monte Carlo simulations in the canonical ensemble have been performed in the liquid and supercritical regions of a binary Lennard-Jones mixture with differences in size parameters of 6.4% and energy parameters of 37%. The results are compared with a recent fundamental equation of stale employing the van der Waals one-fluid model and new simulation data at the corresponding state conditions of the pure Lennard-Jones fluid. The van der Waals one-fluid model describes the mixture properties well at high densities, while at low densities the predicted internal energies and isochoric heat capacities are too low.
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页码:687 / 696
页数:10
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