摘要：In present work, an improved regular solution model is established, based on the concept of regular solution and local composition theory. The local volume fractions phi(ij) are considered to include the influence of interaction energy between molecules on molecules' local distribution. A new expression for molar excess Gibbs free energy (g(E)) is developed for the calculation of activity coefficients. Regular solution (RS), Wilson (W) and modified regular solution (MRS) are used for the non-ideality of solid phase and regular solution is adopted for liquid phase. Compared with the experimental data of binary, ternary and quaternary n-allcane systems, the advantage of RS-MRS is illustrated, with the best predictions of wax appearance temperature (WAT) and solid precipitation curve, which proves that the non-random molecules distribution caused by interaction energy between molecules is essential for g(E). It is the application phi(ij) that enhances the prediction accuracy of RS-MRS. (C) 2016 Elsevier B.V. All rights reserved.

关键字：Wax precipitation Solid-liquid equilibrium Non-ideality Activity coefficient Regular solution

ISSN号：0378-3812

卷、期、页：卷: 423 页: 128-137

发表日期：2016-09-15

期刊分区（SCI为中科院分区）：三区

收录情况：SCI（科学引文索引印刷版）,ESI（基本科学指标数据库）,EI（工程索引）,SCIE（科学引文索引网络版）

发表期刊名称：FLUID PHASE EQUILIBRIA

通讯作者：杨居衡,马千里,宋盼

第一作者：王玮,史博会,宫敬

论文类型：期刊论文

论文概要：杨居衡,王玮,史博会,马千里,宋盼,宫敬，Prediction of wax precipitation with new modified regular solution model，FLUID PHASE EQUILIBRIA，2016，卷: 423 页: 128-137

论文题目：Prediction of wax precipitation with new modified regular solution model