(617dg) Computational Modelling of the Fischer-Tropsch Synthesis within a Microreactor
This mathematical model will use COMSOL Multiphysics to simulate the FTS reactions on the surface of a cobalt-based catalysis. The aim of this computational model will be to use COMSOL to extract reaction kinetics from measured product distributions in the process as implemented in a local microstructured synthesis reactor. From this data, the rate determining steps will be determined to compare with our own estimates from quantum mechanical computational work done at the DFT level. In this contribution, 2-D models of the microreactor will be presented along with steady-state calculations of the final products from reaction.