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 |
DOI | 10.1021/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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