• Seed ($5,000 – $10,000 / year for up to 3 years) 
• Impact ($10,000 – $100,000 / year for up to 3 years) 

Join CTSI in unveiling the UDL guidelines 3.0 and considerations for implementing UDL and unlocking inclusive learning in higher education. Whether you are new to UDL or looking to engage in discussion on the new iteration/changes, this session is tailored to accommodate all levels of experience.

Abstract

Fischer-Tropsch (FT) synthesis is one of the largest-scale catalytic processes, where long-chain hydrocarbons are formed from syngas (CO and H2) by a combination of C-O activation and C-C coupling steps. Interest in sustainable aviation fuels is driving a renaissance of this century-old process. Typically, supported cobalt catalyst are preferred due to their high activity, selectivity towards long-chain hydrocarbons, and low CO2 selectivity. The nature of the active sites and the reaction network, consisting of C-O bond scission, C-C bond formation and hydrogenation steps, remain intensely debated, hampering the development of selective catalysts.
To investigate possible reaction mechanisms, a dual-site microkinetic model, agnostic to a preferred reaction mechanism, was constructed using reaction free energies and activation energies computed with VdW-DF density functional theory. To accurately capture the reaction environment, the effect of the CO saturation coverage was included in all calculations and in the microkinetic model construction. This approach proved to be critical to provide an accurate description of the kinetics under reaction conditions. Our first principles microkinetic model accurately captures the activity, selectivity and chain growth of the FT reaction.