Crocker, Mark

Design of Catalysts for Oxidative Depolymerization of Lignin

Lignin, a potential source of renewable aromatics, is currently an underutilized plant-based byproduct of the pulp and paper industry. Products from lignin simplification have vast potential, both as fine chemicals and as intermediates for the production of fuels. Due to its complex, irregular, and insoluble nature, models of lignin linkages are often used to develop lignin depolymerization strategies. One of the key steps in lignin depolymerization is oxidation of benzylic alcohol groups, which comprise up to 66% of lignin’s connectivity, to a ketone group. Here, models will be developed to investigate how metal nanoparticles supported on layered double hydroxides (LDH) act as catalysts for the oxidation of lignin. Thermodynamic reaction pathways and kinetic barriers for the oxidation of model alcohols will be developed. The molecular-scale details of this study, which will entail catalyst systems that show both poor and robust performance, will allow for the design of new generations of catalysts.

We are developing a collaboration with the group of Mark Crocker/Chad Risko (Chemistry; CAER) to establish models of the catalytic activity of LDH-supported metal nanoparticles for the depolymerization of lignin. We would like to request dlx access for one of Dr. Crocker’s students, Yang (Vanessa) Song, as well as access to VASP. A research description for the project from Dr. Crocker is above.

Software:

VASP, Gaussian09, NWChem, QChem

Researchers:

Mark Crocker (PI)
Yang Song (student)
UK Collaborator: Chad Risko

Publications

Grants