文献类型：期刊文献

英文题名：Vapor-liquid equilibrium and critical asymmetry of square well and short square well chain fluids

作者：Li, Liyan[1];Sun, Fangfang[1];Chen, Zhitong[1];Wang, Long[1];Cai, Jun[1]

机构：[1]E China Univ Sci & Technol, Dept Chem, Shanghai 200237, Peoples R China

年份：2014

卷号：141

期号：5

外文期刊名：JOURNAL OF CHEMICAL PHYSICS

收录：;EI(收录号：20143418090764);WOS:【SCI-EXPANDED(收录号:WOS:000340713100054)】；

基金：For financial support, we are grateful to the National Natural Science Foundation of China (Grant No. 20973062).

语种：英文

外文关键词：Chains - Binary mixtures - Monte Carlo methods - Phase equilibria - Intelligent systems

摘要：The critical behavior of square well fluids with variable interaction ranges and of short square well chain fluids have been investigated by grand canonical ensemble Monte Carlo simulations. The critical temperatures and densities were estimated by a finite-size scaling analysis with the help of histogram reweighting technique. The vapor-liquid coexistence curve in the near-critical region was determined using hyper-parallel tempering Monte Carlo simulations. The simulation results for coexistence diameters show that the contribution of |t|(1-alpha) to the coexistence diameter dominates the singular behavior in all systems investigated. The contribution of |t|(2 beta) to the coexistence diameter is larger for the system with a smaller interaction range lambda.While for short square well chain fluids, longer the chain length, larger the contribution of |t|(2 beta). The molecular configuration greatly influences the critical asymmetry: a short soft chain fluid shows weaker critical asymmetry than a stiff chain fluid with same chain length. (C) 2014 AIP Publishing LLC.