Biomass conversion to liquid fuels may be accomplished through gasification to syngas followed by fuel synthesis processes, enabling a renewable energy source of liquid fuels. Prior to fuel synthesis catalysts, the syngas must be cleaned of sulfur and tar species. In a Department of Energy forecast for 2012, approximately 50% of the cost to produce ethanol from biomass is involved in syngas cleanup. Mixed Rare-Earth Oxides (REOs) have shown promise in both desulfurization and hydrocarbon conversion. Our goal is to design a REO catalyst that can reform the large hydrocarbons into CO and H2 and remove sulfur at high temperatures, thus making biomass gasification-based processes viable for sustainable liquid fuel production. Herein, we specifically examine the use of transition metal doped ceria materials for hydrocarbon conversion.  Density functional theory (DFT+U) is used to generate composition-function relationships of mixed REOs for C-H bond activation, a key step in conversion of hydrocarbons.  Results applying DFT+U methods to investigate metal-doped ceria materials for both desulfurization and hydrocarbon conversion will be presented.  Comparison will be made with experimental studies.

Transition metal-doped CeO<sub>2</sub> for use in biomass gasifier effluent clean-up

244th National Meeting (2012)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.

Transition metal-doped CeO2 for use in biomass gasifier effluent clean-up

Transition metal-doped CeO₂ for use in biomass gasifier effluent clean-up