Vapor-liquid equilibrium simulation of binary and ternary mixtures of CH4, C2H4 and iso-C4H10
作者： Lühong Zhang , Jing Zhang , Yongli Sun , Jiao Yan , Yuhua Liu
DOI: 10.1007/S12209-014-2190-1
关键词:
摘要: The vapor-liquid equilibrium (VLE) properties for the binary and ternary mixtures of CH4, C2H4 iso-C4H10 are great importance in recovery ethylene from mixture containing CH4 with as solvent. Hence, Gibbs ensemble Monte Carlo (GEMC) simulations were used to estimate united atom potential NERD model. selected simulation conditions based on experiment literature. results this work shown be satisfactory agreement available experimental data predictions Peng-Robinson equation state. structure simulated liquid phase is also characterized by radial distribution function (RDF), which contributes further understanding VLE curve these systems. RDF not sensitive pressure temperature range. With increase or decrease temperature, molecules tend gather together.
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