Phase equilibria and stability boundaries in a two-component Lennard-Jones mixture

被引：4
|
作者：
Bryukhanov, V. M. [1 ]
Baidakov, V. G. [1 ]
机构：
[1] Russian Acad Sci, Inst Thermal Phys, Ural Branch, Amundsen St 107a, Ekaterinburg 620016, Russia
来源：
FLUID PHASE EQUILIBRIA | 2022年 / 557卷
基金：
俄罗斯科学基金会;
关键词：
Binary Lennard-Jones mixtures; Metastable states; Molecular dynamics simulation; Equation of state; THERMODYNAMIC PROPERTIES; EQUATION; STATE; SIMULATIONS; DYNAMICS; FLUIDS;
D O I：
10.1016/j.fluid.2022.113413
中图分类号：
O414.1 [热力学];
学科分类号：
摘要：
The mechanical and diffusion stability conditions of binary Lennard-Jones mixtures with respect to infinitesimal changes in state parameters are considered. In stable and metastable states, by molecular dynamics method, the pressure is determined as a function of temperature, density and composition of a Lennard-Jones mixture simulating the methane-nitrogen system. The phase equilibrium parameters are calculated. Based on the data obtained, a unified mixture state equation for liquid and vapor was created. The diffusion and mechanical spinodals of the mixture were determined. (C) 2022 Elsevier B.V. All rights reserved.
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页数：7
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