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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Kosmotropism of salicylate based IL is studied in this work.
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MD and DFT simulations were used for the investigation of diluted [bmim][Sal].
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Excellent agreement between experimental and theoretical results.
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[bmim]+ is responsible for the water structuring.