中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
A Reliable Database for Ionic Volume and Surface: Its Application To Predict Molar Volume and Density of Ionic Liquid

文献类型:期刊论文

作者Zhu, Peng1; Kang, Xuejing2; Latif, Udall3; Gong, Maoming3; Zhao, Yongsheng4
刊名INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
出版日期2019-06-12
卷号58期号:23页码:10073-10083
ISSN号0888-5885
DOI10.1021/acs.iecr.9b00720
英文摘要The ionic volume and surface area of the anion and cat'on are very important and fundamental properties of ionic liquids (ILs) which are widely used to predict the properties of IL systems. In this study, ionic volumes and surface areas for 249 ions were calculated, and thus, a database was established. Based on the database, two prediction models (each containing only one correction coefficient) for the molar volume of 126 ILs were developed using COSMO and van der Waals volumes. In addition, the densities of the 126 ILs were calculated by using the equation rho = M/V. The average absolute relative deviations of the predicted molar volume and density models were less than 3.5%, indicating the excellent precision of our models. Therefore, it can be concluded that the ionic volume and surface area database established in this work was reliable and could be extended to predict physicochemical properties of more than 10,000 ILs.
WOS关键词PHYSICAL-PROPERTIES ; CO2 CAPTURE ; ABSORPTION ; SEPARATION ; LATTICE
资助项目national natural science foundation of China[21706258] ; Key Project of Department of Education of Guangdong Province[2016GCZX008] ; Scientific research start-up fund for high-level talents of Foshan University, China
WOS研究方向Engineering
语种英语
出版者AMER CHEMICAL SOC
WOS记录号WOS:000471835000033
资助机构national natural science foundation of China ; Key Project of Department of Education of Guangdong Province ; Scientific research start-up fund for high-level talents of Foshan University, China
源URL[http://ir.ipe.ac.cn/handle/122111/30003]  
专题中国科学院过程工程研究所
通讯作者Zhao, Yongsheng
作者单位1.Foshan Univ, Sch Mat Sci & Energy Engn, Foshan 528000, Guangdong, Peoples R China
2.Zhengzhou Univ Light Ind, Sch Mat & Chem Engn, Zhengzhou 450001, Henan, Peoples R China
3.Chinese Acad Sci, Inst Proc Engn, Beijing Key Lab Ion Liquids Clean Proc, CAS Key Lab Green Proc & Engn,State Key Lab Multi, Beijing 100190, Peoples R China
4.Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA
推荐引用方式
GB/T 7714
Zhu, Peng,Kang, Xuejing,Latif, Udall,et al. A Reliable Database for Ionic Volume and Surface: Its Application To Predict Molar Volume and Density of Ionic Liquid[J]. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,2019,58(23):10073-10083.
APA Zhu, Peng,Kang, Xuejing,Latif, Udall,Gong, Maoming,&Zhao, Yongsheng.(2019).A Reliable Database for Ionic Volume and Surface: Its Application To Predict Molar Volume and Density of Ionic Liquid.INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,58(23),10073-10083.
MLA Zhu, Peng,et al."A Reliable Database for Ionic Volume and Surface: Its Application To Predict Molar Volume and Density of Ionic Liquid".INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 58.23(2019):10073-10083.

入库方式: OAI收割

来源:过程工程研究所

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