O-Tu-Seg-12 Theoretical Insights into Reactions of C5 Furans on Metal Surfaces

Tuesday, June 4, 2013: 2:50 PM
Segell (Galt House Hotel)
Vassili Vorotnikov1 and Dionisios G. Vlachos1,2, (1)University of Delaware, USA, (2)Catalysis Center for Energy Innovation, USA.
This work is the first ab-initio mechanistic study of furanic reactions on Pd surface followed by a comprehensive microkinetic analysis and comparison to experimental data. Our work provides the first model-based analysis of furan reactions and insights into catalyst selection.

Extended Abstracts: