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The predictive molecular thermodynamic model COSMO-RS(Conductor-like screening model for real solvents)can be used for modeling of the system(gas + ILs) and prediction of the gas solubility and selectivity in ILs. The review introduces the key parameters of the COSMO-RS model. The pseudo ternary system for the properties calculation of ILs used by COSMO-RS was illustrated. The research progresses for the modeling of adsorption and separation of CO2 , SO2 , aromatic volatile organic compounds, aliphatic volatile organic compounds, and H2 O used by ILs were summarized. The correction and optimization of COSMO-RS model for ILs was discussed. Finally, the research direction of COSMO-RS model of ILs screening used for gases capture and separation is prospected., authors=JIAO Mengqing1 , ZHANG Ruixue1 , QI Letian2 , ZHAO Nan1 , authorsList=JIAO Mengqing, ZHANG Ruixue, QI Letian, ZHAO Nan, authorCompany=1. 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科技导报
| 专题:生态环境材料及评价技术 2024, 42(4): 31-39
COSMO-RS方法筛选离子液体用于气体捕集分离研究进展
全屏
焦梦青, 张瑞雪, 齐乐天, 赵楠
作者信息
通讯作者:
赵楠(通信作者),副研究员,研究方向为离子液体构效关系,电子信箱:zhaonan_63@163.com
Research progress of ionic liquids screening for gases captnre and separation by COSMO-RS method
JIAO Mengqing, ZHANG Ruixue, QI Letian, ZHAO Nan
Affiliations
doi: 10.3981/j.issn.1000-7857.2024.04.003
文章导航
离子液体(ionic liquids,ILs)具有许多独特的理化性质,可作为传统有机溶剂吸收分离气体的优良替代物。预测型分子热力学模型,真实溶剂似导体屏蔽模型(conductor-like screening model for real solvents,COSMO-RS)能够有效模拟“气体+离子液体”体系,预测气体在离子液体中的溶解度及选择性。介绍了COSMO-RS模型中重要的理论参数,阐释了COSMO-RS模型计算离子液体性质时的类三元体系,总结了COSMO-RS方法模拟离子液体吸收分离CO2 、SO2 、芳香族VOCs(volatile organic compounds)、脂肪族VOCs、水蒸气等气体的研究进展,讨论了COSMO-RS模型针对离子液体体系的校正和优化,展望了COSMO-RS模型筛选离子液体用于气体捕集和分离的未来研究方向。
离子液体
/
气体
/
COSMO-RS
/
吸收
/
分离
With many unique physical and chemical properties, ionic liquids are regarded as excellent substitutes of traditional solvents for adsorption and separation of gases. The predictive molecular thermodynamic model COSMO-RS(Conductor-like screening model for real solvents)can be used for modeling of the system(gas + ILs) and prediction of the gas solubility and selectivity in ILs. The review introduces the key parameters of the COSMO-RS model. The pseudo ternary system for the properties calculation of ILs used by COSMO-RS was illustrated. The research progresses for the modeling of adsorption and separation of CO2 , SO2 , aromatic volatile organic compounds, aliphatic volatile organic compounds, and H2 O used by ILs were summarized. The correction and optimization of COSMO-RS model for ILs was discussed. Finally, the research direction of COSMO-RS model of ILs screening used for gases capture and separation is prospected.
ionic liquids
/
gas
/
COSMO-RS
/
adsorption
/
separation
焦梦青, 张瑞雪, 齐乐天, 赵楠.
COSMO-RS方法筛选离子液体用于气体捕集分离研究进展.
科技导报,
2024
, 42
(4)
: 31
-39
.
DOI: 10.3981/j.issn.1000-7857.2024.04.003
JIAO Mengqing, ZHANG Ruixue, QI Letian, ZHAO Nan.
Research progress of ionic liquids screening for gases captnre and separation by COSMO-RS method[J].
Science & Technology Review ,
2024
, 42
(4)
: 31
-39
.
DOI: 10.3981/j.issn.1000-7857.2024.04.003
2024年第42卷第4期
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文章信息
doi: 10.3981/j.issn.1000-7857.2024.04.003
接收时间:2023-02-27
首发时间:2024-04-08
收稿日期:2023-02-27
修回日期:2023-07-28
通讯作者:
赵楠(通信作者),副研究员,研究方向为离子液体构效关系,电子信箱:zhaonan_63@163.com
https://castjournals.cast.org.cn/joweb/kjdb/CN/10.3981/j.issn.1000-7857.2024.04.003
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2种不同金属材料的力学参数
科 Family 属数 Number of genus 种数 Number of species 占总种数比例 Percentage of total species (%) 属 Genus 种数 Number of species 占总种数比例 Percentage of total species (%) 鹅膏菌科Amanitaceae 2 11 5.26 鹅膏菌属 Amanita 10 4.78 小菇科 Mycenaceae 2 12 5.74 丝盖伞属 Inocybe 5 2.39 多孔菌科 Polyporaceae 8 14 6.70 蜡蘑属 Laccaria 5 2.39 红菇科 Russulaceae 3 23 11.00 小皮伞属 Marasmius 6 2.87 小菇属 Mycena 11 5.26 光柄菇属 Pluteus 5 2.39 红菇属 Russula 17 8.13 栓菌属 Trametes 5 2.39
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