Research and design of integrated nanoparticle catalysts for CO2 conversion to liquid fuels, via molecular modeling, microscale kinetics, and macroscopic process engineering
We propose to use carbon dioxide and methane as precursors for the direct synthesis of liquid transportation fuels and other value-added chemicals. Heterogeneous nanoscale catalysts will be designed, synthesized, and characterized for their suitability in CO2 conversion. The catalyst design will be guided by theoretical and computational studies. The theoretical studies will provide estimates of kinetic parameters for adsorption of CO2 and CH4 on different metal and metal oxide structures, which will then be tested and "tuned" in an iterative process based on experimental kinetic adsorption data on different nanoparticles, obtained via nonsteady-state experiments using the temporal analysis of products (TAP) approach. The most promising catalyst configurations will be tested in microreactors at Technion and Washington University.