Publications and responsibilities
CH3O Radical Binding on Hexagonal Water Ice and Amorphous Solid Water
Selective Vacuum Evaporation by the Control of the Chemistry of Gas Phase in Vacuum Refining of Si
Modelling and Simulation of Metal-Air Batteries
Oxidation of Liquid Silicon in Air Atmospheres Containing Water Vapor
Towards rigorous multiscale flow models of nanoparticle reactivity in chemical looping applications
A multiscale modeling framework is described and applied to the reactivity of iron oxide nanoparticles in a chemical looping reforming (CLR) reactor. At the atomic scale/nanoscale, we have performed kinetic Monte Carlo modeling, guided by Density Functional Theory calculations, on the detailed...