Microstructures, interactions and dynamics properties studies of aqueous guanidinium triflate ionic liquid from molecular dynamics simulations

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• 作者：Naimah Haron^a ; ^{naimaharon@gmail.com} ; Vannajan S. Lee^a ; Nor A. Sairi^a ; Sharifuddin M. Zain^a ; Yatimah Alias^a ; Mohamed K. Aroua^b
• 关键词：Molecular dynamics ; Guanidinium ; Ionic liquid ; Water ; Microscopic physical properties
• 刊名：Journal of Molecular Liquids
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：227
• 期：Complete
• 页码：184-193
• 全文大小：2379 K
• 卷排序：227

文摘

Water molecules intercalated in the coordination shell of both ions. Water molecules connect with each other forming a large hydrogen bond network. Predicted dynamic properties shown that, [OTf]− ions diffuse faster than [gua]+.