Measurement and calculation of solubility of quinine in supercritical carbon dioxide

作     者：Fatemeh Zabihi Mehrdad Mirzajanzadeh Jingfu Jia Yaping Zhao 

作者机构：Department of Chemical EngineeringIslamic Azad UniversityAyatollah Amoli Branch Amol Department of Chemical EngineeringIslamic Azad UniversityTehran Science and Research Branch School of Chemistry & Chemical EngineeringShanghai Jiaotong University 

出 版 物：《Chinese Journal of Chemical Engineering》 (中国化学工程学报（英文版）)

年 卷 期：2017年第25卷第5期

页      面：641-645页

核心收录：

学科分类：0710[理学-生物学] 0830[工学-环境科学与工程（可授工学、理学、农学学位）] 081704[工学-应用化学] 0817[工学-化学工程与技术] 08[工学] 081701[工学-化学工程] 0703[理学-化学] 

基　　金：Supported by the National Natural Science Foundation of China(20976103) 

主　　题：Supercritical fluid Solubility Semi empirical model Iso fugacity Quinine 

摘      要：Solubility of quinine in supercritical carbon dioxide(SCCO_2) was experimentally measured in the pressure range of 8 to 24 MPa, at three constant temperatures: 308.15 K, 318.15 K and 328.15 K. Measurement was carried out in a semi-dynamic system. Experimental data were correlated by iso-fugacity model(based on cubic equations of state, CEOS), Modified Mendez–Santiago–Teja(MST) and Modified Bartle semi-empirical models. Two cubic equations of state: Peng–Robinson(PR) and Dashtizadeh–Pazuki–Ghotbi–Taghikhani(DPTG) were adopted for calculation of equilibrium parameters in CEOS modeling. Interaction coefficients(k_(ij)& l_(ij)) of van der Waals(vdW) mixing rules were considered as the correlation parameters in CEOS-based modeling and their contribution to the accuracy of model was investigated. Average Absolute Relative Deviation(AARD) between correlated and experimental data was calculated and compared as the index of validity and accuracy for different modeling systems. In this basis it was realized that the semi-empirical equations especially Modified MST can accurately support the theoretical studies on phase equilibrium behavior of quinine–SCCO_2 media. Among the cubic equations of state DPGT within two-parametric vd W mixing rules provided the best data fitting and PR within one-parametric vd W mixing rules demonstrated the highest deviation respecting to the experimental data. Overall, in each individual modeling system the best fitting was observed on the data points attained at 318 K, which could be perhaps due to the moderate thermodynamic state of supercritical phase.