Abstract
The capability of the SLV-EoS, recently proposed by A. Yokozeki [1], of representing the phase diagrams for binary mixtures of Lennard-Jones (LJ) fluids has been investigated in this work. The SLV-EoS has been used for producing the phase diagrams of binary Lennard-Jones mixtures with diameter ratio σ11 /σ22 ranging from 0.85 and 0.95, and well-depth ratio ɛ11 /ɛ22 ranging from 0.625 and 1.6 at reduced pressure P * =P σ11 3 /ɛ11 =0.002. The obtained phase diagrams have been compared with the corresponding results obtained by Monte-Carlo (MC) simulation [2-5].
Highlights
Solid-liquid phase diagrams are usually classified in six types: solid solution, azeotrope, eutectic with partial immiscibility, eutectic with complete immiscibility, peritectic with eutectic, and molecular compound [6], see Fig. 1
Our results were compared with phase diagrams including solid phases for binary mixtures of LJ components studied in References 2-5 using MC simulation
The SLV-EoS has been compared with molecular simulation results for LJ pure fluids and binary mixtures
Summary
Solid-liquid phase diagrams are usually classified in six types: solid solution, azeotrope, eutectic with partial immiscibility, eutectic with complete immiscibility, peritectic with eutectic, and molecular compound [6], see Fig. 1. “Classical” modeling approach for calculating SLE, as reported for instance by Gmehling and Kolbe [7], assumes solid phases as pure compounds. This assumption is of practical utility in representing types of phase diagrams with total immiscibility in the solid phases. This approach cannot be used for systems presenting partial or total miscibility in the solid phase. Our results were compared with phase diagrams including solid phases for binary mixtures of LJ components studied in References 2-5 using MC simulation
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