Improve Research Reproducibility A Bio-protocol resource
- Home
- Protocols
-
Ask a
question
Favorite
The turnover frequency (TOF), as well as the reaction kinetics of ammonia synthesis, has been solved by microkinetic modeling (MKM) with CatMAP code.35 The reaction rate for each elementary step can be expressed as
where ri are the rates, kif/r are the forward/reverse rate constants, θim/in are the coverage of the surface species m/n, and pim/in are the pressure of the gas-phase reactants and products m/n for each elementary reaction step i.
The details and derivations of the calculations can be found in the Supporting Information.
Copyright and License information: ©2024 The Authors. Published by American Chemical Society
Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/).
Do you have any questions about this protocol?
Post your question to gather feedback from the community. We will also invite the authors of this article to respond.
Post a Question0 Q&A
