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 | Liu, Fujian2; Chen, Wei1; Mi, Jinxing2; Zhang, Jia-Yin3; Kan, Xun2; Zhong, Fu-Yu3; Huang, Kuan3; Zheng, An-Min1; Jiang, Lilong2 |
| 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 |
| 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研究方向 | Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000467981300023 |
| 出版者 | WILEY |
| 源URL | [http://202.127.146.157/handle/2RYDP1HH/7861]  |
| 专题 | 中国科学院武汉植物园 |
| 通讯作者 | Huang, Kuan; Jiang, Lilong |
| 作者单位 | 1.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 2.Fuzhou Univ, Sch Chem Engn, NERC CFC, Fuzhou, Fujian, Peoples R China 3.Nanchang Univ, Sch Resources Environm & Chem Engn, Minist Educ, Key Lab Poyang Lake Environm & Resource Utilizat, Nanchang, Jiangxi, Peoples R China |
| 推荐引用方式 GB/T 7714 | Liu, Fujian,Chen, Wei,Mi, Jinxing,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 | Liu, Fujian.,Chen, Wei.,Mi, Jinxing.,Zhang, Jia-Yin.,Kan, Xun.,...&Jiang, Lilong.(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 | Liu, Fujian,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：武汉植物园
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