Theoretical and Computational Studies of Nano-Scale Hydration Phenomena

The behavior of water in confining geometries with characteristic sizes in the nm range, or around nm-scale objects, is of interest in a broad range of scientific fields and technical applications, such as biological self-assembly and the preservation of labile biochemicals. Recent progress towards an improved understanding of confined and interfacial water will be illustrated through theoretical and computational studies of the thermodynamics and kinetics of capillary evaporation, the solubility and molecular conformations of long-chain n-alkanes in water, and the structure and phase behavior of water in confinement by heterogeneous surfaces. These studies shed light on questions such as the possible role of capillary evaporation in biological self-assembly and pressure-induced denaturation of proteins.

School Colloquia

For more information contact Prof. Angelo Bongiorno (404-385-5169).