Prediction of viscosity of imidazolium-based ionic liquids using MLR and SVM algorithms
文献类型:期刊论文
作者 | Zhao, Yongsheng1,2; Zhang, Xiangping1; Deng, Liyuan3; Zhang, Suojiang1 |
刊名 | COMPUTERS & CHEMICAL ENGINEERING
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出版日期 | 2016-09-02 |
卷号 | 92期号:SEP页码:37-42 |
关键词 | Ionic liquids Viscosity Support vector machine (SVM) Multiple linear regression (MLR) Fragment contribution-corresponding states (FC-CS) method |
ISSN号 | 0098-1354 |
英文摘要 | In this work, two models, one integrating the fragment contribution-corresponding states (FC-CS) method with multiple linear regression (MLR) algorithm and another. With support vector machine (SVM) algorithm, are proposed to predict the viscosity of imidazolium-based ionic liquids (ILs). The FC-CS method is applied to calculate the pseudo-critical volume and compressibility factor (V-c and Z(c)) as well as the boiling point temperature (T-b) which are employed to predict the viscosity with the MLR and SVM algorithms. A large data set of 1079 experimental data points of 45 imidazolium-based ILs covering a wide range of pressure and temperature is applied to validate the two models. The average absolute relative deviation (AARD) of the entire data set of the MLR and SVM is 24.2% and 3.95%, respectively. The nonlinear model developed by the SVM algorithm is much better than the linear model built by the MLR, which indicates the SVM algorithm is more reliable in the prediction of the viscosity of imidazolium-based ILs. (C) 2016 Elsevier Ltd. All rights reserved. |
WOS标题词 | Science & Technology ; Technology |
类目[WOS] | Computer Science, Interdisciplinary Applications ; Engineering, Chemical |
研究领域[WOS] | Computer Science ; Engineering |
关键词[WOS] | SUPPORT VECTOR MACHINE ; DESIGN ; MODELS ; QSPR ; CONDUCTIVITIES ; SOLVENTS ; CAPTURE ; FUTURE |
收录类别 | SCI |
语种 | 英语 |
WOS记录号 | WOS:000380513500003 |
源URL | [http://ir.ipe.ac.cn/handle/122111/21429] ![]() |
专题 | 过程工程研究所_多相复杂系统国家重点实验室 |
作者单位 | 1.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ion Liquids Clean Proc, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Sch Chem & Chem Engn, Beijing 100049, Peoples R China 3.Norwegian Univ Sci & Technol, Dept Chem Engn, NO-7491 Trondheim, Norway |
推荐引用方式 GB/T 7714 | Zhao, Yongsheng,Zhang, Xiangping,Deng, Liyuan,et al. Prediction of viscosity of imidazolium-based ionic liquids using MLR and SVM algorithms[J]. COMPUTERS & CHEMICAL ENGINEERING,2016,92(SEP):37-42. |
APA | Zhao, Yongsheng,Zhang, Xiangping,Deng, Liyuan,&Zhang, Suojiang.(2016).Prediction of viscosity of imidazolium-based ionic liquids using MLR and SVM algorithms.COMPUTERS & CHEMICAL ENGINEERING,92(SEP),37-42. |
MLA | Zhao, Yongsheng,et al."Prediction of viscosity of imidazolium-based ionic liquids using MLR and SVM algorithms".COMPUTERS & CHEMICAL ENGINEERING 92.SEP(2016):37-42. |
入库方式: OAI收割
来源:过程工程研究所
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