Probabilistic microkinetic modeling: Species balance equations for a catalyst surface containing multiple short-range order parameters to capture spatial correlations

Adsorbed molecules on a catalyst almost always arrange themselves in a manner that is far from perfectly random, which gives rise to spatial correlations. These correlations are a result of the interactions between the adsorbed species (adspecies) as well as elementary processes such as diffusion an...

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Veröffentlicht in:	The Journal of chemical physics 2024-05, Vol.160 (20)
Hauptverfasser:	Kumar, Aditya, Chatterjee, Abhijit
Format:	Artikel
Sprache:	eng
Schlagworte:	Catalysts Complexity Correlation Modelling Order parameters Short range order
Online-Zugang:	Volltext
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