Effect of Organic Ions on The Formation and Collapse of Nanometric Bubbles in Ionic Liquid/Water Solutions: A Molecular Dynamics Study.

ABSTRACT: Molecular dynamics simulation is applied to investigate the effect of two ionic liquids (IL) on the nucleation and growth of (nano)cavities in water under tension and on the cavities' collapse following the release of tension. Simulations of the same phenomena in two pure water samples of different sizes are carried out for comparison. The first IL, i.e., tetra-ethylammonium mesylate ([Tea][Ms]), is relatively hydrophilic and its addition to water at 25 wt % concentration decreases its tendency to nucleate cavities. Apart from quantitative details, cavity formation and collapse are similar to those taking place in water and qualitatively follow the Rayleigh-Plesset (RP) equation. The second IL, i.e., tetrabutyl phosphonium 2,4-dimethylbenzenesulfonate ([P₄₄₄₄][DMBS]), is amphiph

SUBMITTER: Cabriolu R 

PROVIDER: S-EPMC9969518 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature