文献类型：期刊文献

英文题名：Is it safe to introduce volume translation into cubic-type or SAFT-type equations of State?

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

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, Shanghai 200237, Peoples R China;[2]East China Univ Sci & Technol, Sch Chem & Mol Engn, Shanghai 200237, Peoples R China;[3]Univ Alberta, Sch Min & Petr Engn, Dept Civil & Environm Engn, Edmonton, AB T6G 0S6, Canada

年份：2026

卷号：334

外文期刊名：CHEMICAL ENGINEERING SCIENCE

收录：;EI(收录号：20262320828437);WOS:【SCI-EXPANDED(收录号:WOS:001785367100001)】；

基金：This research was financially sponsored by the Fundamental and Interdisciplinary Disciplines Breakthrough Plan of the Ministry of Education of China (No. JYB2025XDXM404) .

语种：英文

外文关键词：Cubic EOS; PC-SAFT EOS; Volume translation; Derivative properties; Thermodynamic consistency

摘要：Volume translation is widely used to reduce systematic liquid-density errors in equations of state (EOSs), but its influence on pressure-volume-temperature relationship (PVT) and derivative-property predictions remains insufficiently understood. In this work, cubic-type and perturbed-chain statistical associating fluid theory (PC-SAFT)-type EOSs combined with constant, temperature-dependent, and temperature-and pressure-dependent volume translations are benchmarked for 16 pure components over broad temperature and pressure ranges. Vapor pressure, saturated and single-phase liquid densities, isobaric thermal expansivity, isothermal compressibility, isobaric and isochoric heat capacities, and speed of sound are evaluated against NIST reference data. The results show that volume translation has only a modest effect on vapor-pressure prediction, whereas it has a much stronger impact on density and related volumetric properties. Within the SRK family, the temperature-and pressure-dependent translation gives the best overall performance for liquid densities, isobaric thermal expansivity, isothermal compressibility, and isobaric heat capacity. Within the PC-SAFT family, state-dependent translation can improve vapor pressure and first-derivative volumetric properties, but the original PC-SAFT EOS remains the most accurate overall for density and heat-capacity prediction. Importantly, improved density does not guarantee improved higher-order properties. Near the critical region, state-dependent translations can substantially increase deviations in isochoric heat capacity, which also degrades speed of sound prediction. Overall, for the models examined here, volume translation is best regarded as a targeted correction for liquid density and closely related volumetric responses rather than as a general remedy for all PVT and derivative properties.