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COSMO-RS方法筛选离子液体用于气体捕集分离研究进展
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焦梦青, 张瑞雪, 齐乐天, 赵楠
科技导报 | 专题:生态环境材料及评价技术 2024,42(4): 31-39
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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
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焦梦青, 张瑞雪, 齐乐天, 赵楠
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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
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doi: 10.3981/j.issn.1000-7857.2024.04.003
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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 H2O 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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doi: 10.3981/j.issn.1000-7857.2024.04.003
  • 接收时间:2023-02-27
  • 首发时间:2024-04-08
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  • 收稿日期:2023-02-27
  • 修回日期:2023-07-28
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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
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2种不同金属材料的力学参数

Family
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Number of
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种数
Number of
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Number of
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Percentage of total
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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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