A theoretical study on aminoacid-based ionic liquids with acid gases and water

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• 作者：Cesar Herrera^a ; Gabriela de Carvalho Costa^b ; Mert Atilhan^c ; Luciano T. Costa^b ; ^{ltcosta@id.uff.br} ; Santiago Aparicio^a ; ^sapar@ubu.es
• 关键词：Ionic liquids ; Aminoacid ; Mixtures ; Acid gases ; Water ; Molecular dynamics ; DFT
• 刊名：Journal of Molecular Liquids
• 出版年：2017
• 出版时间：January 2017
• 年：2017
• 卷：225
• 期：Complete
• 页码：347-356
• 全文大小：2289 K
• 卷排序：225

文摘

Theoretical studies of aminoacid-based ionic liquid for acid gases capturing. CO2 and SO2 and water effect studied. Volume rearrangement and hydrogen bonding effects. Minor changes on ionic liquid upon gas absorption. Sumultaneous absorption of acid gases and water molecules.