Solvent-mediated interactions between nanostructures: from water to Lennard-Jones liquid

TL;DR

This study compares solvent-mediated interactions in water and Lennard-Jones liquids using density functional theory and molecular dynamics to assess their universality across different liquids.

Contribution

It provides a comparative analysis of solvent-mediated interactions in water and Lennard-Jones liquids, highlighting the role of liquid nature and methodological approaches.

Findings

Interactions depend on solute structure and liquid properties

Results show similarities and differences between water and Lennard-Jones liquids

Contrasts between density functional theory and molecular dynamics outcomes

Abstract

Solvent-mediated interactions emerge from complex mechanisms that depend on the solute structure, its wetting properties and the nature of the liquid. While numerous studies have focused on the two first influences, here, we compare results from water and Lennard-Jones liquid in order to reveal to what extent solvent-mediated interactions are universal with respect to the nature of the liquid. Besides the influence of the liquid, results were obtained with classical density functional theory and brute-force molecular dynamics simulations which allows us to contrast these two numerical techniques.