文献类型：期刊文献

英文题名：Application of volume-translated rescaled perturbed-chain statistical associating fluid theory equation of state to pure compounds using an expansive experimental database

作者：Shi, Jialin[1,2];Wu, Changxu[2];Liu, Honglai[1];Li, Huazhou[2,3]

机构：[1]East China Univ Sci & Technol, Sch Chem & Mol Engn, State Key Lab Chem Engn, Shanghai, Peoples R China;[2]Univ Alberta, Fac Engn, Sch Min & Petr Engn, Edmonton, AB, Canada;[3]Univ Alberta, Petr Engn, Edmonton, AB, Canada

年份：2024

卷号：70

期号：8

外文期刊名：AICHE JOURNAL

收录：;EI(收录号：20242116115745);WOS:【SCI-EXPANDED(收录号:WOS:001222813600001)】；

基金：The authors gratefully acknowledge a Discovery Grant from the Natural Sciences and Engineering Research Council (NSERC) of Canada and a NSERC Alliance - Alberta Innovates Advance Program grant to H. Li. In addition, this work is supported by the National Key Research and Development Program of China (No. 2019YFC1906700), the National Natural Science Foundation of China (No. 22178097), and the Fundamental Research Funds for the Central Universities (No. 2022ZFJH04).

语种：英文

外文关键词：critical region; experimental database; pure compounds; thermodynamic properties; volume translation; VTR-PC-SAFT EOS

摘要：The performance of the perturbed-chain statistical associating fluid theory-type equations of state (PC-SAFT-type EOSs) is compromised in predicting properties of pure compounds in the critical region. In our previous research, we introduced an improved volume-translated rescaled PC-SAFT EOS (VTR-PC-SAFT EOS) by incorporating a dimensionless distance-function. Such VTR-PC-SAFT EOS is built based on a critical point-based PC-SAFT EOS that can reproduce the critical temperature, critical pressure, and critical molar volume of pure compounds. VTR-PC-SAFT EOS is found to significantly improve the accuracy of phase behavior predictions in both critical and noncritical regions for pure compounds. In this study, we assess the performance of VTR-PC-SAFT EOS in reproducing the critical and noncritical properties of 251 pure compounds, encompassing 20 distinct chemical species. The testing results indicate that, compared to the other three PC-SAFT-type EOSs, the VTR-PC-SAFT EOS can consistently provide more accurate representations of critical and noncritical properties of 251 pure compounds.