文献类型：期刊文献

英文题名：Comparative assessment of CPA-and SAFT-type equations of state for vapor-liquid equilibrium and derivative properties of polar/non-polar binary mixtures

作者：Amanabadi, Javad[1];Li, Kaiqi[2];Ye, Zhencheng[2];Beraldo, Cleiton Souza[3];Kontogeorgis, Georgios M.[1];Liang, Xiaodong[1]

机构：[1]Tech Univ Denmark, Ctr Energy Resources Engn CERE, Dept Chem & Biochem Engn, DK-2800 Lyngby, Denmark;[2]East China Univ Sci & Technol, Key Lab Smart Mfg Energy Chem Proc, Minist Educ, Shanghai 200237, Peoples R China;[3]Univ Sao Paulo, Polytech Sch EP, Dept Chem Engn PQI, BR-05508070 Sao Paulo, SP, Brazil

年份：2027

卷号：612

外文期刊名：FLUID PHASE EQUILIBRIA

收录：;WOS:【SCI-EXPANDED(收录号:WOS:001832749400001)】；

基金：The authors wish to acknowledge funding from the Independent Research Fund Denmark (Case number: 3105-00024B) and the Department of Chemical and Biochemical Engineering, Technical University of Denmark.

语种：英文

外文关键词：SAFT models; Polar SAFT; SQLite database; Thermophysical properties

摘要：In this work, we analyze the predictive performance of the CPA-and SAFT-type families and their polar extensions in capturing the effects of like-unlike interactions on vapor-liquid equilibria and thermophysical properties of mixtures containing polar compounds with non-polar partners. To elucidate the roles of the dipolar segment and binary interaction parameters in describing these properties, several complementary analyses were conducted. Based on these findings, a new parameterization strategy was introduced to reduce the dimensionality of the parameter estimation problem for polar equations of state while preserving predictive capability. In addition, a flexible SQLite-based database of curated thermophysical property data was developed and made available to facilitate future model development and validation.