Computational insight into the effect of alkyl chain length in tetraalkylammonium-based deep eutectic solvents.

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第一作者： Chandan Prasad,Sahoo

第一单位： School of Chemical Sciences, National Institute of Science Education & Research, An OCC of Homi Bhabha National Institute, P.O.: Jatni, Khurda, Odisha 752050, India.

作者： Chandan Prasad,Sahoo ^[1] ; Deepak Kumar,Panda ^[1] ; B L,Bhargava ^[2]

作者单位： School of Chemical Sciences, National Institute of Science Education & Research, An OCC of Homi Bhabha National Institute, P.O.: Jatni, Khurda, Odisha 752050, India. ^[1] School of Chemical Sciences, National Institute of Science Education & Research, An OCC of Homi Bhabha National Institute, P.O.: Jatni, Khurda, Odisha 752050, India. Electronic address: bhargava@niser.ac.in. ^[2]

关键词 Alkyl chain length Bivariate distribution functions Long-range correlations Number density Surface tension

主题词分子动力学模拟(Molecular Dynamics Simulation);阴离子(Anions);阳离子(Cations);乙二醇类(Ethylene Glycols);溶剂(Solvents)

DOI 10.1016/j.jmgm.2024.108717

PMID 38281418

发布时间 2024-04-17

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