<br/>Biomass and other non-traditional carbonaceous feedstocks hold great potential to displace large quantities of fossil resources for the production of fuels and chemicals. Many of these processes involve catalytic upgrading of biomass deconstruction products or bio-derived intermediates. While some promising catalytic strategies have been developed to serve this purpose, coke formation remains a prevalent challenge that reduces both carbon yield and catalyst activity lifetimes. In this presentation, I will describe the application of computational modeling to several catalytic systems, namely the upgrading of biomass pyrolysis vapors and the conversion of ethanol to butadiene. In both systems, a detailed multiscale transport model is used to extract lumped intrinsic kinetic schemes from experimental results.  Parametric analysis of the resultant simulation frameworks is used to identify strategies to mitigate coke formation and prolong catalyst activity lifetimes. In all of the systems evaluated, transport phenomena is predicted to play an important role in determining the effective rates of deactivation and coke formation. In response to these predictions, a nanocellulose-based templating method was established that is intended to improve catalyst performance by modifying the transport of reactants and products throught the catalyst. Our results demonstrate introducing hierarchical porosity into CFP catalysts by this method can substantially increase carbon yield with respect to non-templated materials.

Reducing coke formation in catalytic fast pyrolysis: Insights from computational modeling and experimental application

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.