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Updated: Feb 6, 2026

Preparation of Binary and Ternary Deep Eutectic Systems

Preparation of Binary and Ternary Deep Eutectic Systems

Published on: October 31, 2019

深共晶溶媒の物理的特性を支配する主要因としての電荷スクリーニング

Antonio Reyes-Obando¹, Pedro E Ramírez-González²

¹Instituto de Física "Manuel Sandoval Vallarta," Universidad Autónoma de San Luis Potosí, Chapultepec 1570, Privadas del Pedregal, C.P. 78295. San Luis Potosí, SLP, Mexico.

The Journal of chemical physics

|February 4, 2026

Abstract:

In this work, we performed all-atom molecular dynamics simulations of the ionic liquids choline chloride (ChCl) and 1-ethyl-3-methylimidazolium chloride, as well as their mixtures with ethylene glycol (ETG) and urea (UR), to obtain deep eutectic solvents (DESs). We calculated the structural and transport properties of all systems studied to explore the differences between pure ILs and DESs. From these results, we discuss the ability of ETG and UR to orient themselves along the ionic electric field, similarly to water in classical electrolytes. This orientational behavior promotes an effective reduction of the electrostatic interactions (usually called "screening" within the context of classical electrolytes). We found that, similar to inorganic salts dissolved in water, the hydrogen-bond donors reduce electrostatic interactions between ions, leading to significant changes in their structural and transport properties.

キーワード:

深共晶溶媒イオン液体分子動力学シミュレーション電荷スクリーニング水素結合構造的特性輸送特性

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