O-Tu-Com-4 Mechanistic Analysis of Complex Biomass Conversion Networks Through Network Generation and Semi-empirical Thermochemistry Estimation

Tuesday, June 4, 2013: 11:00 AM
Combs Chandler (Galt House Hotel)
Srinivas Rangarajan, Aditya Bhan and Prodromos Daoutidis, University of Minnesota, USA.
A method is proposed to construct complex networks, identify mechanisms, and evaluate the energetics for catalytic conversion of biomass. The method uses RING, a network generator, and semi-empirical methods for thermochemistry and kinetics calculation. We apply this method to analyze glycerol decomposition on metals.

Extended Abstracts: