Kinetic modeling of transient Fischer–Tropsch experiments over Co/Al2O3 catalysts with different microstructures

• Published in: Catalysis today Vol. 275; pp. 20 - 26
• Main Authors: Rebmann, E., Fongarland, P., Lecocq, V., Diehl, F., Schuurman, Y.
• Format: Journal Article
• Language: English
• Published: Elsevier B.V 15.10.2016; Elsevier
• Subjects: 13CO; Catalysis; Chemical Sciences; Cobalt catalyst; Environment and Society; Environmental Sciences; Reaction network generation; SSITKA; Syngas; 13CO; Cobalt catalyst; Reaction network generation; SSITKA; Syngas
• ISSN: 0920-5861; 1873-4308
• DOI: 10.1016/j.cattod.2015.11.041

[Display omitted] •SSITKA experiments for FT synthesis were carried out over fcc and hcp Co/Al2O3 catalysts.•A software code was developed to automatically generate a network for 13CO SSITKA experiments.•The same reaction mechanism takes place over fcc and hcp Co/Al2O3 catalysts. Processes like Fisher–Tropsch synthesis that yield a very large spectrum of products present challenges for modeling approaches due to the large networks that are involved. The number of species involved in such a network increases exponentially if the model concerns isotopic exchange experiments due to the distribution of the labeled atom into the products. Special tools such as a code for computer to generate a reaction network have been developed to deal with the complexity of Steady-State Isotopic Kinetic Analysis (SSITKA) experiments. This approach makes it easier to model both steady-state and SSITKA experiments based on a microkinetic reaction mechanism. The methodology is applied to 12CO→13CO SSITKA experiments for Fisher–Tropsch synthesis over a 13wt.% Co/Al2O3 catalyst oriented towards two different Co phase structures, face-centered cubic and hexagonal close-packed, by different pre-treatments.