960化工网
Molecular interactions of ionic liquids with SiO2 surfaces determined from colloid probe atomic force microscopy†
Yudi Wei,Zhongyang Dai,Yihui Dong,Xiaoyan Ji,Faiz Ullah Shah,Rong An
Physical Chemistry Chemical Physics Pub Date : 05/05/2022 00:00:00 , DOI:10.1039/D2CP00483F
Abstract

Ionic liquids (ILs) interact strongly with many different types of solid surfaces in a wide range of applications, e.g. lubrication, energy storage and conversion, etc. However, due to the nearly immeasurable large number of potential ILs available, identifying the appropriate ILs for specific solid interfaces with desirable properties is a challenge. Theoretical studies are highly useful for effective development of design and applications of these complex molecular systems. However, obtaining reliable force field models and interaction parameters is highly demanding. In this work, we apply a new methodology by deriving the interaction parameters directly from the experimental data, determined by colloid probe atomic force microscopy (CP-AFM). The reliability of the derived interaction parameters is tested by performing molecular dynamics simulations to calculate translational self-diffusion coefficients and comparing them with those obtained from NMR diffusometry.

Graphical abstract: Molecular interactions of ionic liquids with SiO2 surfaces determined from colloid probe atomic force microscopy
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