(750f) Nature of Molecular Interactions of Bio-Oil Derivatives on Thiolate-Coated Pd Nanoparticles
- Conference: AIChE Annual Meeting
- Year: 2017
- Proceeding: 2017 Annual Meeting
- Group: Catalysis and Reaction Engineering Division
- Session:
- Time: Thursday, November 2, 2017 - 4:55pm-5:15pm
These studies have found that many aromatic oxygenates, such as furfuryl alcohol, furan, and methylfuran adopt an upright adsorption configuration, with the aromatic ring repelled away from the surface. The results indicate that the thiol ligands affect both binding energies and configurations of these aromatic oxygenates compared to uncoated Pd. These changes impact product selectivity. For example, furfural on a SAMs covered nanoparticle adopts an upright conformation, as well as diffuses to the edge sites, which correlates to the reduced selectivity towards the decarbonylation product, furan. These aromatic oxygenates on SAMs-coated nanoparticles also desorb from the surface and can interact with the SAMs for some residence time before desorbing into vacuum.