(520e) Solid-Water Interfaces: Fundamental Observations to Enhance Practical Devices

A number of experimental and simulation results consistently show that a solid surface perturbs interfacial liquids for up to 1-2 monolayers. Our group is interested in understanding how it is possible that such short-ranged perturbations result in macroscopic observations that, in the case of aqueous interfaces include hydrodynamic slip, salt-specific effects relevant for protein folding and precipitation, self assembly of lipids and nanoparticles, and even the preservation of artistic heritage. (For example, Giotto’s frescos in the Scrovegni’s chapel, Padua, Italy, and the Mogao caves, in Dunhuang, China, a lasting but frail testimony to the Buddhist influences on modern Chinese culture, are endangered by the humidity caused by the breathing visitors.) Our phylosophy consists in emploing molecular simulations to provide the details needed for interpreting, and when possible predicting experimental observations. I will present the results for structure and dynamics of water on a few solid-liquid interfaces, and how such predictions have been tested by AFM. I will then discuss how such observations could be extended to understand the partition of aqueous electrolytes (e.g., NaCl vs. CaCl₂) within narrow carbon pores, and how such effects could lead to the design of enhanced electrodes for water desalination and energy-storage devices.