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

doi:10.1002/aic.16574

	Thermodynamic and molecular insights into the absorption of H2S, CO2, and CH4 in choline chloride plus urea mixtures
	Jiang, Lilong 3; Zheng, An-Min 2; Huang, Kuan 1; Zhong, Fu-Yu 1; Kan, Xun 3; Zhang, Jia-Yin 1; Mi, Jinxing 3; Chen, Wei 2; Liu, Fujian 3
刊名	AICHE JOURNAL
	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
DOI	10.1002/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.
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关键词	DEEP EUTECTIC SOLVENTS ; IONIC LIQUIDS ; HYDROGEN-SULFIDE ; CARBON-DIOXIDE ; SULFUR-DIOXIDE ; NATURAL-GAS ; SOLUBILITY ; METHANE ; EFFICIENT ; CAPTURE
WOS研究方向	Engineering
语种	英语
出版者	WILEY
WOS记录号	WOS:000467981300023
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
内容类型	期刊论文
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.