Won和P-UNIQUAC两类非电解质固液相平衡计算模型评价及改进  

Evaluation and modification of Won and P-UNIQUAC equilibrium model for non-electrolyte solid-liquid systems

作　　者：王建平[1] 赵芳磊 陈玉石[1] 赵文英 孙晓岩[2] 项曙光[2] WANG Jianping;ZHAO Fanglei;CHEN Yushi;ZHAO Wenying;SUN Xiaoyan;XIANG Shuguang(Petro-Cyber Works Information Technology Co.Ltd.,Shanghai 200040,China;Institute of Process Systems Engineering,Qingdao University of Science&Technology,Qingdao 266042,China;College of Chemistry and Chemical Engineering,Qilu Normal University,Jinan 250200,China)

机构地区：[1]石化盈科信息技术有限责任公司,上海200040 [2]青岛科技大学过程系统工程研究所,山东青岛266042 [3]齐鲁师范学院化学与化工学院,山东济南250200

出　　处：《高校化学工程学报》2023年第5期689-698,共10页Journal of Chemical Engineering of Chinese Universities

基　　金：国家自然科学基金(22178190);国家青年自然科学基金(22008129)。

摘　　要：非电解质固液平衡模型对石油化工流程模拟的结晶过程计算具有重要作用。采用2种不同体系的实验数据,从基于正规溶液理论和局部组成理论的6种非电解质固液相平衡模型出发,依次评价了它们对固相分率和固相组成的计算精度,并对相平衡计算模型进行改进。6种相平衡模型对固相分率计算结果的平均绝对偏差(AAD)介于2.58%~9.14%。研究发现,预测模型中的固液相焓差修正项影响固液相平衡预测结果的准确性。通过在Won、P-UNIQUAC和P-UNIQUAC(Ghanaei)相平衡模型中分别增加Pedersen、Ghanaei和DIPPR固液相焓差修正项改进模型并用实验数据进行评价。结果表明,9种改进的相平衡模型对固相分率的计算结果优于原始模型,对固相分率计算结果的AAD介于3.36%~6.31%。Non-electrolyte solid-liquid equilibrium models are of great importance for the calculation of crystallization processes in petrochemical process simulation.The predictive capabilities of six solid-liquid equilibrium models for the prediction of non-electrolyte solid-phase fraction and solid-phase composition were evaluated with experimental data of two systems.The six models were proposed according to the regular solution theory and local composition theory.The average absolute deviations(AAD)of the six models for solid-phase fractions were from 2.58%to 9.14%.The results indicate that the correction terms of enthalpy difference between solid and liquid phase in the model affects the predictive accuracy of the solid-liquid equilibrium.The Won,P-UNIQUAC,and P-UNIQUAC(Ghanaei)models were modified by adding the correction terms of enthalpy difference of Pedersen,Ghanaei,DIPPR,respectively,and were also tested with the experimental data.The results show that the nine modified models are more accurate than the original phase equilibrium models for the prediction of solid-phase fractions.The average absolute deviations of solid-phase fraction were between 3.36%and 6.31%.

关 键 词：非电解质 固液相平衡 K值关联式 焓差修正项 

分 类 号：TQ013.1[化学工程]