Application of the SLV-EoS for representing phase equilibria of binary Lennard-Jones mixtures including solid phases

作者：Stringari Paolo^*; Campestrini Marco

来源：Fluid Phase Equilibria, 2013, 358: 68-77.

DOI：10.1016/j.fluid.2013.08.003

• Lennard-Jones fluid
• Solid-liquid-vapor equilibrium
• Phase diagram
• Equation of state
• Cryogenic processes

In 2003, Yokozeki proposed an equation of state capable of representing solid, liquid, and vapor phases. This equation represents an innovative approach of including solid in phase diagrams. The capability of this equation of state, named SLV-EoS, of giving a qualitative correct representation of phase diagrams for binary mixtures of Lennard-Jones spheres has been tested in this work. The SLV-EoS has been used for producing the phase diagrams of binary Lennard-Jones mixtures with diameter ratio sigma(11)/sigma(22) ranging from 0.85 to 1, and well-depth ratio epsilon(11)/epsilon(22) ranging from 0.625 to 1.6 at reduced pressure P* = P sigma(3)(11)/epsilon(11) = 0.002. The obtained phase diagrams have been compared with literature data obtained by Monte-Carlo simulation. The comparison shows the incapability of the SLV-EoS with null binary interaction parameters of predicting solid-liquid azeotrope and eutectic in the investigated range of sigma(11)/sigma(22) and epsilon(11)/epsilon(22). Binary interaction parameters have been regressed to allow the SLV-EoS giving a qualitative representation of the three types of phase diagrams: solid solution, solid azeotrope and simple eutectic. Binary interaction parameters are shown being smoothed functions of sigma(11)/sigma(22) and epsilon(11)/epsilon(22), allowing the prediction of the phase behavior for other Lennard-Jones mixtures or real mixtures of simple fluids.

• 出版日期2013-11-25