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Issue 14, 2018
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The effect of water on the physicochemical properties of an ethylene glycol and choline chloride mixture containing Cu2+ ions: electrochemical results and dynamic molecular simulation approach

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Abstract

The effect of water on the physicochemical properties of an ethylene glycol and choline chloride mixture containing Cu2+ ions was investigated by electrochemical techniques and molecular dynamics simulation. The experiments and computational calculations were carried out by increasing the water content from 0 up to 10% (v/v). The cyclic voltammetry and chronopotentiometry techniques showed that the diffusion coefficient of Cu2+ ions increased and that the peak potentials for both the Cu2+/Cu+ and Cu+/Cu redox couples shifted towards more positive potentials with the increase in the water content in the solution. The molecular dynamics simulation indicated that the water molecules replaced the ethylene glycol molecules that were coordinated with Cu2+ ions, while the interactions between Cu2+ and Cl ions were not influenced by the presence of water.

Graphical abstract: The effect of water on the physicochemical properties of an ethylene glycol and choline chloride mixture containing Cu2+ ions: electrochemical results and dynamic molecular simulation approach

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Publication details

The article was received on 30 Aug 2017, accepted on 09 Mar 2018 and first published on 09 Mar 2018


Article type: Paper
DOI: 10.1039/C7CP05911F
Citation: Phys. Chem. Chem. Phys., 2018,20, 9321-9327
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    The effect of water on the physicochemical properties of an ethylene glycol and choline chloride mixture containing Cu2+ ions: electrochemical results and dynamic molecular simulation approach

    J. R. Bezerra-Neto, N. G. Sousa, L. P. M. dos Santos, A. N. Correia and P. de Lima-Neto, Phys. Chem. Chem. Phys., 2018, 20, 9321
    DOI: 10.1039/C7CP05911F

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