Structuring of water in the new generation ionic liquid - Comparative experimental and theoretical study

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• 作者：Milan Vrane&scaron ; Stevan Armaković ; Aleksandar Tot ; Snežana Papović ; Neboj&scaron ; a Zec ; Sanja Armaković ; Nemanja Banić ; Biljana Abramović ; Slobodan Gadžurić ; ^{slobodan.gadzuric@dh.uns.ac.rs" class="auth_mail" title="E-mail the corresponding author}
• 关键词：Ionic liquids ; Structure makers ; Molecular dynamics ; Density functional theory ; Kosmotropicity ; Salicylate
• 刊名：Journal of Chemical Thermodynamics
• 出版年：2016
• 出版时间：February 2016
• 年：2016
• 卷：93
• 期：Complete
• 页码：164-171
• 全文大小：1584 K

文摘

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d="p0005">Kosmotropism of salicylate based IL is studied in this work.

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d="p0010">MD and DFT simulations were used for the investigation of diluted [bmim][Sal].

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d="p0015">Excellent agreement between experimental and theoretical results.

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d="p0020">[bmim]⁺ is responsible for the water structuring.

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