A grey wolf optimizer-based support vector machine for the solubility of aromatic compounds in supercritical carbon dioxide

被引:30
作者
Bian, Xiao-Qiang [1 ,2 ]
Zhang, Qian [1 ]
Zhang, Lu [1 ]
Chen, Ling [3 ]
机构
[1] Southwest Petr Univ, State Key Lab Oil & Gas Reservoir Geol & Exploita, Chengdu 610500, Peoples R China
[2] Univ Lorraine, Ecole Natl Super Ind Chim, Lab React & Genie Proc UPR 3349, 1 Rue Grandville,BP 20451, Nancy 9, France
[3] Southwest Petr Univ, Appl Tech Coll, Nanchong 637001, Peoples R China
基金
中国国家自然科学基金;
关键词
Solubility; Carbon dioxide; Grey wolf optimizer; Support vector machine; EQUATION-OF-STATE; ARTIFICIAL NEURAL-NETWORK; DENSITY-BASED MODELS; SOLUTE SOLUBILITY; DRUG SOLUBILITY; SOLID COMPOUNDS; GENETIC ALGORITHM; PREDICTION; FLUIDS; HYDROCARBONS;
D O I
10.1016/j.cherd.2017.05.008
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
The prediction of solute solubility in supercritical carbon dioxide (SCCO2) is crucial for the development of supercritical applications. Many models have been developed to calculate the solubility of aromatic compounds. In this work, a grey wolf optimizer-based support vector machine (GWO-SVM) was proposed for correlating solute solubility in SCCO2. The proposed GWO-SVM model utilized the temperature, pressure and the density of SCCO2 as input parameters and the solubility of different solutes in SCCO2 as target parameter on the basis of gray correlation analysis. The new model successfully correlated solute solubility of 18 compounds (1148 data points including 814 training data points and 334 testing data points) in SCCO2, which were collected from the published literature. A comparison of the 27 commonly used empirical models and the proposed GWO-SVM model showed that the overall average absolute relative deviation of the proposed model is the lowest (3.20%). It was also found that the overall average absolute relative deviation is less dependent on material type for the proposed GWO-SVM model. (C) 2017 Institution of Chemical Engineers. Published by Elsevier B.V. All rights reserved.
引用
收藏
页码:284 / 294
页数:11
相关论文
共 65 条
[1]   SUPERCRITICAL FLUID EXTRACTION WITH CARBON-DIOXIDE AND ETHYLENE [J].
ADACHI, Y ;
LU, BCY .
FLUID PHASE EQUILIBRIA, 1983, 14 (OCT) :147-156
[2]   A simple correlation to predict drug solubility in supercritical carbon dioxide [J].
Amooey, Ali Akbar .
FLUID PHASE EQUILIBRIA, 2014, 375 :332-339
[3]   Solubilities of solids in supercritical fluids .1. New quasistatic experimental method for polycyclic aromatic hydrocarbons (PAHs) plus pure fluids [J].
Anitescu, G ;
Tavlarides, LL .
JOURNAL OF SUPERCRITICAL FLUIDS, 1997, 10 (03) :175-189
[4]   A study on the predictive capability of the SAFT-VR equation of state for solubility of solids in supercritical CO2 [J].
Anvari, Monir Hosseini ;
Pazuki, Gholarnreza .
JOURNAL OF SUPERCRITICAL FLUIDS, 2014, 90 :73-83
[5]   MEASUREMENT OF SOLUBILITY IN SUPERCRITICAL FLUIDS USING CHROMATOGRAPHIC RETENTION - THE SOLUBILITY OF FLUORENE, PHENANTHRENE, AND PYRENE IN CARBON-DIOXIDE [J].
BARTLE, KD ;
CLIFFORD, AA ;
JAFAR, SA .
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1990, 35 (03) :355-360
[6]   SOLUBILITIES OF SOLIDS AND LIQUIDS OF LOW VOLATILITY IN SUPERCRITICAL CARBON-DIOXIDE [J].
BARTLE, KD ;
CLIFFORD, AA ;
JAFAR, SA ;
SHILSTONE, GF .
JOURNAL OF PHYSICAL AND CHEMICAL REFERENCE DATA, 1991, 20 (04) :713-756
[7]   Integrating support vector regression with genetic algorithm for CO2-oil minimum miscibility pressure (MMP) in pure and impure CO2 streams [J].
Bian, Xiao-Qiang ;
Han, Bing ;
Du, Zhi-Min ;
Jaubert, Jean-Noel ;
Li, Ming-Jun .
FUEL, 2016, 182 :550-557
[8]   A five-parameter empirical model for correlating the solubility of solid compounds in supercritical carbon dioxide [J].
Bian, Xiao-Qiang ;
Zhang, Qian ;
Du, Zhi-Min ;
Chen, Jing ;
Jaubert, Jean-Noel .
FLUID PHASE EQUILIBRIA, 2016, 411 :74-80
[9]   A combined model for the solubility of different compounds in supercritical carbon dioxide [J].
Bian, Xiao-Qiang ;
Li, Jing ;
Chen, Jing ;
Li, Ming-Jun ;
Du, Zhi-Min .
CHEMICAL ENGINEERING RESEARCH & DESIGN, 2015, 104 :416-428
[10]   An improved density-based model for the solubility of some compounds in supercritical carbon dioxide [J].
Bian, Xiaoqiang ;
Du, Zhimin ;
Tang, Yong .
THERMOCHIMICA ACTA, 2011, 519 (1-2) :16-21