| Prediction of viscosity of imidazolium-based ionic liquids using MLR and SVM algorithms | |
| Zhao, Yongsheng1,2; Zhang, Xiangping1; Deng, Liyuan3; Zhang, Suojiang1 | |
| 2016-09-02 | |
| 发表期刊 | COMPUTERS & CHEMICAL ENGINEERING
 |
| ISSN | 0098-1354 |
| 卷号 | 92期号:SEP页码:37-42 |
| 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. |
| 关键词 | Ionic Liquids Viscosity Support Vector Machine (Svm) Multiple Linear Regression (Mlr) Fragment Contribution-corresponding States (Fc-cs) Method |
| 文章类型 | Article |
| WOS标题词 | Science & Technology ; Technology |
| DOI | 10.1016/j.compchemeng.2016.04.035 |
| 收录类别 | SCI |
| 语种 | 英语 |
| 关键词[WOS] | SUPPORT VECTOR MACHINE ; DESIGN ; MODELS ; QSPR ; CONDUCTIVITIES ; SOLVENTS ; CAPTURE ; FUTURE |
| WOS研究方向 | Computer Science ; Engineering |
| WOS类目 | Computer Science, Interdisciplinary Applications ; Engineering, Chemical |
| 项目资助者 | National Basic Research Program of China(2015CB251403) ; National Natural Science Fund for Distinguished Young Scholars(21425625) ; key program of Beijing Municipal Natural Science Foundation(2141003) ; National Natural Science Foundation of China(21376242) |
| WOS记录号 | WOS:000380513500003 |
| 引用统计 | |
| 文献类型 | 期刊论文 |
| 条目标识符 | http://ir.ipe.ac.cn/handle/122111/21429 |
| 专题 | 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. |
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| Prediction of viscos（822KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | 浏览 请求全文 | |
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