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Predicting the Viscosity of Ionic Liquids by the ELM Intelligence Algorithm
Kang, Xuejing1; Zhao, Zhijun2; Qian, Jianguo3; Afzal, Raja Muhammad3
2017-10-04
发表期刊INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN0888-5885
卷号56期号:39页码:11344-11351
摘要

Predicting the viscosity of ionic liquids (ILs) is crucial for their applications in chemical and related industries. In this study, a large data set of experimental viscosity data of ILs with a wide range of viscosity (7.83-142 000 cP), pressure (1-3000 bar), and temperature (258.15-395.32 K) are employed to build predictive models. The structures of cations and anions for 89 ILs are optimized, and the S sigma-profiles descriptors are calculated using the quantum chemistry method.Two new models are developed by using extreme learning machine (ELM) intelligence algorithm with the temperature, pressure, and a number of S sigma-profiles descriptors as input parameters. The coefficient of determination (R-2) and average absolute relative deviation (AARD %) of the total sets of the two predictive models are 0.982, 2.21% and 0.951, 4.10%, respectively. The results show that the two ELM models are reliable for predicting the viscosity of ILs.

文章类型Article
WOS标题词Science & Technology ; Technology
DOI10.1021/acs.iecr.7b02722
收录类别SCI
语种英语
关键词[WOS]Artificial Neural-network ; Extreme Learning-machine ; Electrolytic Conductivity ; Extensive Database ; Model ; Solubility ; Solvents ; Co2 ; Qspr ; Descriptors
WOS研究方向Engineering
WOS类目Engineering, Chemical
项目资助者Beijing Natural Science Foundation(2164062) ; State Key Laboratory of Chemical Engineering(SKL-ChE-15A01)
WOS记录号WOS:000412717900042
引用统计
文献类型期刊论文
条目标识符http://ir.ipe.ac.cn/handle/122111/23247
专题多相复杂系统国家重点实验室
作者单位1.Zhengzhou Univ Light Ind, Coll Mat & Chem Engn, Zhengzhou 450002, Henan, Peoples R China
2.Tsinghua Univ, Dept Chem Engn, State Key Lab Chem Engn, Beijing 100084, Peoples R China
3.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing Key Lab Ion Liquids Clean Proc, Beijing 100190, Peoples R China
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Kang, Xuejing,Zhao, Zhijun,Qian, Jianguo,et al. Predicting the Viscosity of Ionic Liquids by the ELM Intelligence Algorithm[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2017,56(39):11344-11351.
APA Kang, Xuejing,Zhao, Zhijun,Qian, Jianguo,&Afzal, Raja Muhammad.(2017).Predicting the Viscosity of Ionic Liquids by the ELM Intelligence Algorithm.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,56(39),11344-11351.
MLA Kang, Xuejing,et al."Predicting the Viscosity of Ionic Liquids by the ELM Intelligence Algorithm".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 56.39(2017):11344-11351.
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