文献类型：期刊文献

英文题名：Comparative Study of Phase Equilibrium Modeling with Cubic and Association Equations of State

作者：Li, Kaiqi[1];Ye, Zhencheng[1,2,3];Liang, Xiaodong[4]

机构：[1]East China Univ Sci & Technol, Key Lab Smart Mfg Energy Chem Proc, Minist Educ, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Engn Res Ctr Proc Syst Engn, Minist Educ, Shanghai 200237, Peoples R China;[3]Qingyuan Innovat Lab, Quanzhou 362801, Peoples R China;[4]Tech Univ Denmark, Ctr Energy Resources Engn CERE, Dept Chem & Biochem Engn, DK-2800 Lyngby, Denmark

年份：2024

卷号：69

期号：12

起止页码：4261

外文期刊名：JOURNAL OF CHEMICAL AND ENGINEERING DATA

收录：;EI(收录号：20243516948679);WOS:【SCI-EXPANDED(收录号:WOS:001298190000001)】；

基金：This work is supported by the National Key Research and Development Program of China (2023YFB3307800), the National Natural Science Foundation of China (62273149, 62373153), Fundamental Research Funds for the Central Universities and Major Program of Qingyuan Innovation Laboratory (Grant No. 00122002), and the Independent Research Fund Denmark (Case No. 3105-00024B). We thank the developers of Clapeyron.jl, which makes such a comparison possible.

语种：英文

外文关键词：Benchmarking - Ternary systems

摘要：Cubic and association equations of state are two of the most widely used types of thermodynamics models. In this work, we focused on comparing the predictive capabilities of three equations of state, namely, the original Peng-Robinson, the perturbed-chain SAFT, and SAFT-VR Mie, for modeling phase equilibria of diverse types of systems. Vapor-liquid equilibria predictions from these three equations of state were evaluated using a recently published benchmark database of 200 binary systems. In addition, we compared their capabilities in predicting the liquid-liquid equilibria of ternary mixtures and vapor-liquid equilibria of a quaternary mixture. The general conclusion is that the SAFT-VR Mie equation of state presents the best performance from an overall viewpoint, but the Peng-Robinson and perturbed-chain SAFT equations of state show respectively superior performance for some specific types of systems.