Molecular interactions of ionic liquids with SiO<sub>2</sub> surfaces determined from colloid probe atomic force microscopy
Yudi Wei, Zhongyang Dai, Yihui Dong, Andrei Filippov, Xiaoyan Ji, Aatto Laaksonen, Faiz Ullah Shah, Rong An, Harald Fuchs
Abstract
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.