Effects of electrostatic interaction on the properties of ionic liquids correlated with the change of free volume

文献情報

出版日 2017-01-23

DOI 10.1039/C6CP08876G

インパクトファクター 3.676

著者

Zhengjian Chen, Yanan Huo, Panfeng Long, Hujun Shen, Jong-Min Lee

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要旨

In this study, the amount of free volume in ionic liquids (ILs) was calculated and found to be almost half to that of their isoelectronic neutral analogues. MD simulations revealed that the significantly compressed free volume in the ILs was dominantly attributed to the strong inter-ion electrostatic interactions, which are comparable to the application of an external pressure of ∼250 MPa to the neutral analogues. Furthermore, the change in the free volume shows an interconnection with other properties of ILs, especially viscosity. The inherent high viscosity of ILs was quantitatively correlated to a low free volume available for mass transfer, and the sharp decrease in the viscosity of ILs with the addition of organic solvents was essentially caused by the introduction of free volume.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.