Solid surfaces suspended in critical aqueous binary mixtures containing hydrophilic salt have recently been found to exhibit anomalous interactions, and a possible mechanism is provided by the asymmetric solvation preferences of weakly and strongly hydrophilic cations and anions, respectively. Here we address this mechanism by studying interfacial ion distributions in a critical binary mixture ...

The effects of cosolvents on the solubility and hydration of small nonpolar solutes in solution has been investigated using a combination of molecular dynamics simulation and Widom particle insertion calculations. Results were obtained for helium, neon, argon, and methane solutes in solutions of sodium chloride, ammonium sulfate, calcium chloride, ammonium acetate, tetramethylammonium chloride,...

The formation of structured hydrogen bond networks in the solvation shells immediate to hydrophobic solutes is crucial for a large number of water mediated processes. A long lasting debate in this context regards the mutual influence of the hydrophobic solute into the bulk water and the role of the hydrogen bond network of the bulk in supporting the solvation structure around a hydrophobic mole...

We present an implicit solvation approach where the interface between the quantum-mechanical solute and the surrounding environment is described by a fully continuous permittivity built up with atomic-centered "soft" spheres. This approach combines many of the advantages of the self-consistent continuum solvation model in handling solutes and surfaces in contact with complex dielectric environm...