立方型及CPA状态方程对极性缔合物质预测能力的评价  

Evaluation of Cubic Equation of State and CPA for Predicting Polar Associated Compounds

作　　者：葛玉祥 孙晓岩[1] 张旭雪 赵文英 项曙光[1,2] GE Yuxiang;SUN Xiaoyan;ZHANG Xuxue;ZHAO Wenying;XIANG Shuguang(Institute of Process Systems Engineering,Qingdao University of Science&Technology,Qingdao 266042,Shandong,China;College of Chemistry and Chemical Engineering,Qilu Normal University,Jinan 250200,China)

机构地区：[1]青岛科技大学过程系统工程研究所,山东青岛266042 [2]齐鲁师范学院化学与化工学院,济南250200

出　　处：《华东理工大学学报（自然科学版）》2023年第5期670-676,共7页Journal of East China University of Science and Technology

基　　金：国家自然科学基金(22178190,22008129)。

摘　　要：采用22种极性缔合物质的热力学性质评价CPA、SRK、PR和PR-Sun状态方程的预测能力,比较仅采用蒸气压、同时采用蒸气压和液体体积两种方法回归CPA状态方程参数的准确性。结果表明,CPA-1和CPA-2状态方程对蒸气压预测结果的平均相对偏差(ARD)均小于0.50%,对蒸发焓预测结果的ARD分别为8.30%和8.24%,CPA-2状态方程对液体体积的预测结果明显优于CPA-1状态方程,其ARD为1.90%。CPA-1和CPA-2状态方程对缔合物质热力学性质的预测结果优于立方型状态方程,且以蒸气压和液体密度同时回归的CPA模型参数优于仅以蒸气压回归的参数。The predictive ability of CPA,SRK,PR and PR-Sun equation of state(EoS)were evaluated with the vapor pressure,liquid volume and enthalpy of vaporization of 22 associative compounds.The five parameters of CPA EoS were regressed with vapor pressures and liquid densities.CPA-1 was obtained with vapor pressures and CPA-2 was obtained with vapor pressures and liquid densities.The capabilities of CPA-1 and CPA-2 EoS for the prediction of thermodynamic properties of 22 compounds were also evaluated.The results show that CPA-1,CPA-2 and PR-Sun EoS present better results for the prediction of vapor pressures,with average relative deviations(ARD)being 0.46%,0.45%and 0.45%,respectively,which are better than SRK and PR EoS.The ARD of CPA-2 EoS for the prediction of liquid volume is 1.90%,and the ARD of each substance is less than 1.00%(excluding water).The prediction of liquid volumes of CPA-2 EoS is more accurate than that of the CPA-1(11.47%),SRK,PR,and PR-Sun EoS.The ARDs of CPA-1 and CPA-2 EoS for the prediction of enthalpy of vaporization are 8.30%and 8.24%,respectively.The results are slightly larger than those predicted with PR-Sun EoS,but are less than those predicted with SRK and PR EoS.The results of CPA EoS for the predictions of thermodynamic properties of associating substances are more accurate than that predicted with the cubic equation of state.The parameters of CPA EoS regressed with vapor pressures and liquid densities are better than that merely regressed with vapor pressures.The CPA has obvious advantage than the cubic equation of state for the predictions of thermodynamic properties.It is worth applying to more mixture systems.

关 键 词：缔合 CPA 参数回归 热力学性质 评价 

分 类 号：TQ013.1[化学工程]