CAS OpenIR
A Reliable Database for Ionic Volume and Surface: Its Application To Predict Molar Volume and Density of Ionic Liquid
Zhu, Peng1; Kang, Xuejing2; Latif, Udall3; Gong, Maoming3; Zhao, Yongsheng4
2019-06-12
Source PublicationINDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
ISSN0888-5885
Volume58Issue:23Pages:10073-10083
Abstract

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.

DOI10.1021/acs.iecr.9b00720
Language英语
WOS KeywordPhysical-properties ; Co2 Capture ; Absorption ; Separation ; Lattice
Funding Projectnational 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 Research AreaEngineering
WOS SubjectEngineering, Chemical
Funding Organizationnational 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
WOS IDWOS:000471835000033
PublisherAMER CHEMICAL SOC
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/30004
Collection中国科学院过程工程研究所
Corresponding AuthorZhao, Yongsheng
Affiliation1.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
Recommended Citation
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.
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