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

VM Bryukhanov and VG Baidakov, FLUID PHASE EQUILIBRIA, 557, 113413 (2022).

DOI: 10.1016/j.fluid.2022.113413

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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