含夹带剂超临界体系溶解度模型的改进及验证

化工进展

含夹带剂超临界体系溶解度模型的改进及验证

李颖，金君素，张泽廷

北京化工大学化学工程学院，北京 100029

出版日期:2013-10-05 发布日期:2013-10-05

Modification and verification of solubility model of supercritical systems with co-solvent

LI Ying，JIN Junsu，ZHANG Zeting

School of Chemical Engineering，Beijing University of Chemical Technology，Beijing 100029，China

Online:2013-10-05 Published:2013-10-05

摘要/Abstract

摘要： 通过对文献中关联精度较优的Sovova模型的研究，参考MST-T&G模型，考虑超临界二元和三元体系中溶解度的关系，提出了以超临界二元和三元体系中溶解度函数为构架的M-MST-T&G模型。收集文献报道中的杂环芳烃类、脂肪酸类、染料类以及医药类共计13种固体溶质在含醇、酮、烷烃3大类10种夹带剂的超临界二氧化碳中1195组溶解度数据，对新改进的M-MST-T&G模型的计算精度进行了验证，并与MST-T&G模型的计算精度进行了对比。结果表明：M-MST-T&G模型的关联效果较好，相对偏差为9.63%，与MST-T&G模型相比相对偏差下降了32.30%。

关键词: 溶解度模型, 超临界体系, 固体溶质, 夹带剂

Abstract: Based on the study on the Sovova model with good correlation precision in literature and the MST-T&G model as the reference model，a modified MST-T&G model (M-MST-T&G model) was proposed by considering the relationship between the solubilities of supercritical binary and ternary systems. In this new model，the solubility functions in supercritical binary and ternary systems were chosen as the framework. The calculation accuracy of the new model was verified by 1195 groups of solubility data of 13 solutes (including heterocyclic aromatic hydrocarbons，aliphatic acids，dye chemicals and pharmaceutical chemicals) in supercritical carbon dioxide with 10 co-solvents (including alcohols，ketones and alkanes). Besides，the accuracy of the new model was compared with that of the traditional MST-T&G model. The new model obtained better correlation with average absolute relative deviation reaching 9.63% and relative deviation scaled down by 32.30% compared with the traditional MST-T&G model.

Key words: solubility model, supercritical system, solid solute, co-solvent

李颖，金君素，张泽廷. 含夹带剂超临界体系溶解度模型的改进及验证[J]. 化工进展.

LI Ying，JIN Junsu，ZHANG Zeting. Modification and verification of solubility model of supercritical systems with co-solvent[J]. Chemical Industry and Engineering Progree.