OB36 Hierarchical Mechanism Development for Complex Reaction Networks of Biomass: Conversion of glycerol to synthesis gas over Platinum

Wednesday, June 8, 2011: 11:00 AM
Columbus Ballroom (Detroit Marriott Hotel at the Renaissance Center )
Ying Chen1, Michael Salciccioli1 and Dionisios G. Vlachos2, (1)Chemical Engineering, University of Delaware, Newark, DE, (2)Chemical Engineering, University of Delaware, Newark, PA
Biomass can be more efficiently utilized for chemical and energy production. DFT calculations provide necessary insights into surface chemistry but are prohibitive for complex molecules. Our work represents the first theoretical attempt to develop a new methodology for complex reaction network that can render first-principle computation of biomass processing feasible.

Extended Abstracts: