文献类型：期刊文献

英文题名：Monte Carlo simulation of vapor-liquid equilibrium and critical asymmetry of square-well dimer fluid

作者：Li, Liyan[1];Tang, Kaiwei[1];Wu, Liang[1];Zhao, Wei[1];Cai, Jun[1]

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

年份：2012

卷号：136

期号：21

外文期刊名：JOURNAL OF CHEMICAL PHYSICS

收录：;EI(收录号：20122615154353);WOS:【SCI-EXPANDED(收录号:WOS:000305090900041)】；

基金：For financial support, we are grateful to the National Natural Science Foundation of China (NNSFC) (20973062). L.W. acknowledges the funding from the Scholarship for Excellence Programme offered jointly by Department for Business Innovation and Skills, United Kingdom, and the China Scholarship Council.

语种：英文

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

摘要：The critical behavior of square-well dimer fluid has been investigated using grand canonical ensemble Monte Carlo simulations combined with a histogram reweighting technique, hyper-parallel tempering and finite-size scaling. The critical temperature and density obtained are T-c* = 1.5495 +/- 0.0009 and rho(c)* = 0.1473 +/- 0.0007, which are 2.5% lower and 5.2% higher than previous results. Coexistence curves both near to and far from the critical point were obtained. The vapor-liquid equilibrium data far from the critical point are consistent with previous results. Simulation results show that the contribution of |t|(1-alpha) to the coexistence diameter of square-well dimer fluid dominates the critical behavior and the contribution of |t|(2 beta) is larger than for a hard-core square-well fluid. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4726302]