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Thermodynamic and molecular insights into the absorption of H2S, CO2, and CH4 in choline chloride plus urea mixtures

文献类型：期刊论文

作者Jiang, Lilong3; Zheng, An-Min2; Huang, Kuan1; Zhong, Fu-Yu1; Kan, Xun3; Zhang, Jia-Yin1; Mi, Jinxing3; Chen, Wei2; Liu, Fujian3
刊名AICHE JOURNAL
出版日期2019-05-01
卷号65期号:5页码:10
关键词deep eutectic solvents natural gas upgrading selective gas absorption theoretical calculation thermodynamic analysis
ISSN号0001-1541
DOI10.1002/aic.16574
英文摘要Deep eutectic solvents (DESs) are a class of promising media for gas separation. In order to examine the potential application of DESs for natural gas upgrading, the solubilities of H2S, CO2, and CH4 in choline chloride (ChCl) plus urea mixtures were measured in this work. The solubility data were correlated with Henry's law equation to calculate the thermodynamic properties of gas absorption processes, such as Henry's constants and enthalpy changes. Grand-canonical Monte Carlo simulations and quantum chemistry calculations were also performed to examine the mechanism of gas absorption processes. It is found that the absorption of H2S in ChCl+urea mixtures is governed by the hydrogen-bond interaction between Cl of ChCl and H of H2S, whereas the absorption of CO2 and CH4 in ChCl+urea mixtures is governed by the free volume of solvents. Based on the different behavior of gas absorption, high H2S/CO2, H2S/CH4, and CO2/CH4 selectivities can be achieved by adjusting the ratio of ChCl/urea in mixtures.
WOS关键词DEEP EUTECTIC SOLVENTS ; IONIC LIQUIDS ; HYDROGEN-SULFIDE ; CARBON-DIOXIDE ; SULFUR-DIOXIDE ; NATURAL-GAS ; SOLUBILITY ; METHANE ; EFFICIENT ; CAPTURE
资助项目Nanchang University ; National Natural Science Foundation of China[21573150] ; National Natural Science Foundation of China[21576051] ; National Natural Science Foundation of China[21825801] ; National Natural Science Foundation of China[U1662108] ; Natural Science Foundation of Jiangxi Province[20171BAB203019]
WOS研究方向Engineering
语种英语
WOS记录号WOS:000467981300023
出版者WILEY
资助机构Nanchang University ; Nanchang University ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Jiangxi Province ; Natural Science Foundation of Jiangxi Province ; Nanchang University ; Nanchang University ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Jiangxi Province ; Natural Science Foundation of Jiangxi Province ; Nanchang University ; Nanchang University ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Jiangxi Province ; Natural Science Foundation of Jiangxi Province ; Nanchang University ; Nanchang University ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Natural Science Foundation of Jiangxi Province ; Natural Science Foundation of Jiangxi Province
源URL[http://ir.wipm.ac.cn/handle/112942/13686]  
专题中国科学院武汉物理与数学研究所
通讯作者Jiang, Lilong; Huang, Kuan
作者单位1.Nanchang Univ, Sch Resources Environm & Chem Engn, Minist Educ, Key Lab Poyang Lake Environm & Resource Utilizat, Nanchang, Jiangxi, Peoples R China
2.Chinese Acad Sci, Wuhan Inst Phys & Math, Natl Ctr Magnet Resonance Wuhan, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan, Hubei, Peoples R China
3.Fuzhou Univ, Sch Chem Engn, NERC CFC, Fuzhou, Fujian, Peoples R China
推荐引用方式
GB/T 7714		 Jiang, Lilong,Zheng, An-Min,Huang, Kuan,et al. Thermodynamic and molecular insights into the absorption of H2S, CO2, and CH4 in choline chloride plus urea mixtures[J]. AICHE JOURNAL,2019,65(5):10.
APA Jiang, Lilong.,Zheng, An-Min.,Huang, Kuan.,Zhong, Fu-Yu.,Kan, Xun.,...&Liu, Fujian.(2019).Thermodynamic and molecular insights into the absorption of H2S, CO2, and CH4 in choline chloride plus urea mixtures.AICHE JOURNAL,65(5),10.
MLA Jiang, Lilong,et al."Thermodynamic and molecular insights into the absorption of H2S, CO2, and CH4 in choline chloride plus urea mixtures".AICHE JOURNAL 65.5(2019):10.

入库方式： OAI收割

来源：武汉物理与数学研究所

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