Modulating water cluster formation by the hydrophilicity of mixed ionic liquids

Journal of Molecular Liquids(2022)

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摘要
•Properties of electrolytes can be tuned simply by mixing hydrophobic and hydrophilic ionic liquids.•Molecular dynamics simulations provides valuable information about the state of water in ionic liquids.•Small ratio of hydrophilic anions exert drastic influence on water.•The types and structure of clusters are analyzed by homemade code.
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关键词
Mixing ionic liquids,Water aggregation,Cluster analysis,Molecular dynamics simulation,Hydrophilicity,Interaction energies
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