Micro-kinetic modeling of transient Fischer-Tropsch experiments over Co/Al2O3 based on large reaction networks

International @ ING+ERE:PFO:YSCInternational audienceThis work presents a methodology to establish a Quantitative Structure Performance Relationship of the cobalt based catalysts for the Fischer-Tropsch Synthesis using SSITKA and micro-kinetic modeling. Special tools such as a code for computer generation of reaction network have been developed to deal with the complexity of the experimental data. The first observations allow differentiating fcc Co0 and hcp Co0 transient kinetic behavior. Further modeling work is in progress to discriminate different potential mechanisms and associated kinetic constants