Dimensionless Empirical Model to Correlate Pharmaceutical Compound Solubility in Supercritical Carbon Dioxide

被引:41
作者
Reddy, Tippana Ashok [1 ]
Garlapati, Chandrasekhar [1 ]
机构
[1] Pondicherry Univ, Dept Chem Engn, Pondicherry Engn Coll, Pondicherry 605014, India
关键词
Degrees of freedom; Empirical models; Solubility; Supercritical carbon dioxide; SOLUTE SOLUBILITY; SOLID COMPOUNDS; ANTIINFLAMMATORY DRUGS; ACID; CO2; PREDICTION; THEOBROMINE; METHIMAZOLE; EXTRACTION; BENZOCAINE;
D O I
10.1002/ceat.201900283
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
The accurate experimental determination of pharmaceutical compound solubilities at various temperature and pressure ranges in supercritical carbon dioxide (ScCO2) is a challenging and time-consuming task. Therefore, prediction or correlations of solute solubilities are essential for implementation of ScCO2 technologies to pharmaceutical industries. Solubilities of 41 pharmaceutical compounds in ScCO2 are correlated by an empirical model, which is developed based on the degree of freedom analysis. Its correlating ability is compared with existing solubility models elaborated by other authors and evaluated in terms of global mean absolute relative deviation, sum of squares due to error, root mean square deviation, R-2, and Adj. R-2. The proposed model is found to correlate better than existing models.
引用
收藏
页码:2621 / 2630
页数:10
相关论文
共 67 条
[31]   Solubility of disperse anthraquinone and azo dyes in supercritical carbon dioxide at 313.15 to 393.15 K and from 10 to 25 MPa [J].
Joung, SN ;
Yoo, KP .
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1998, 43 (01) :9-12
[32]   Solubility prediction in supercritical CO2 using minimum number of experiments [J].
Jouyban, A ;
Rehman, M ;
Shekunov, BY ;
Chan, HK ;
Clark, BJ ;
York, P .
JOURNAL OF PHARMACEUTICAL SCIENCES, 2002, 91 (05) :1287-1295
[33]   Development and evaluation of a new semi-empirical model for correlation of drug solubility in supercritical CO2 [J].
Keshmiri, Kiarash ;
Vatanara, Alireza ;
Yamini, Yadollah .
FLUID PHASE EQUILIBRIA, 2014, 363 :18-26
[34]   Representing solute solubility in supercritical carbon dioxide: A novel empirical model [J].
Khansary, Milad Asgarpour ;
Amiri, Farshad ;
Hosseini, Ashkan ;
Sani, Ahmad Hallaji ;
Shahbeig, Hossein .
CHEMICAL ENGINEERING RESEARCH & DESIGN, 2015, 93 :355-365
[35]  
Kiran E., 2012, Supercritical Fluids: Fundamentals and Applications
[36]   SOLUBILITY OF NIFEDIPINE AND NITRENDIPINE IN SUPERCRITICAL CO2 [J].
KNEZ, Z ;
SKERGET, M ;
SENCARBOZIC, P ;
RIZNER, A .
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1995, 40 (01) :216-220
[37]  
Ko M., 1991, J Supercrit Fluids, V4, P32, DOI DOI 10.1016/0896-8446(91)90028-5
[38]   Experimental data on xanthohumol solubility in supercritical carbon dioxide [J].
Kostrzewa, Dorota ;
Dobrzynska-Inger, Agnieszka ;
Roj, Edward .
FLUID PHASE EQUILIBRIA, 2013, 360 :445-450
[39]  
Kumar S.K., 1988, J. Supercrit. Fluids, V1, P15, DOI [10.1016/0896-8446(88)90005-8, DOI 10.1016/0896-8446(88)90005-8]
[40]   Prediction of supercritical carbon dioxide solubility in polymers based on hybrid artificial intelligence method integrated with the diffusion theory [J].
Li Mengshan ;
Liu Liang ;
Huang Xingyuan ;
Liu Hesheng ;
Chen Bingsheng ;
Guan Lixin ;
Wu Yan .
RSC ADVANCES, 2017, 7 (78) :49817-49827