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为了研究协溶剂对固体在超临界CO2中溶解度增强作用。本文利用PR状态方程,采用拟合两个可调参数(K12和l12)的方法,对酸、芳烃、稠环芳烃、酚、药物和染料六类共27种固体溶质在超临界CO2中的溶解度进行丁关联计算,计算值与实验值的最大平均偏差为9.93％;对超临界CO2／固体／协溶剂三元体系,提出一种直接采用三元系统实验数据拟合3个可调参数(K12,k13,k23)的方法,与Foster和Ting提出的方法相比,计算精度可以大大提高,关联计算的最大平均偏差为4.21％.此外,还提出了一种采用平均可调参数对溶解度进行预测的方法,并对胆固醇和1,4-萘醌的在超临界CO-2中的溶解度进行了成功预测。
In order to study the effect of co-solvent on the solubility of solid in supercritical CO2. In this paper, PR equation of state was used to fit two adjustable parameters (K12 and l12) method for acid, aromatics, polycyclic aromatic hydrocarbons, phenols, drugs and dyes sixteen kinds of solid solutes in supercritical CO2 solubility The maximum average deviation between the calculated value and the experimental value is 9.93%. For the supercritical CO2 / solid / co-solvent ternary system, a direct fitting experiment with ternary system fitting three adjustable parameters (K12 , k13, k23). Compared with the method proposed by Foster and Ting, the computational accuracy can be greatly improved, and the maximum average deviation of the correlation calculation is 4.21% .In addition, a method of using average adjustable parameters to predict the solubility , And successfully predicted the solubility of cholesterol and 1,4-naphthoquinone in supercritical CO-2.