Portal de Periódicos da CAPES

Solvophobic Solvation and Interaction of Small Apolar Particles in Imidazolium-Based Ionic Liquids

2008; American Physical Society; Volume: 100; Issue: 11 Linguagem: Inglês

10.1103/physrevlett.100.115901

1092-0145

Dietmar Paschek, Thorsten Köddermann, Ralf Ludwig,

Surfactants and Colloidal Systems

We report results of molecular dynamics simulations characterizing the solvation and interaction of small apolar particles such as methane and xenon in imidazolium-based ionic liquids (ILs). The simulations are able to reproduce semiquantitatively the anomalous temperature dependence of the solubility of apolar particles in the infinite dilution regime. We observe that the "solvophobic solvation" of small apolar particles in ILs is governed by compensating entropic and enthalpic contributions, very much like the hydrophobic hydration of small apolar particles in liquid water. In addition, our simulations clearly indicate that the solvent mediated interaction of apolar particles dissolved in ILs is similarly driven by compensating enthalpic and entropic contributions, making the "solvophobic interaction" thermodynamically analogous to the hydrophobic interaction.