Prediction of morphological changes of catalyst materials under reaction conditions by combined ab initio thermodynamics and microkinetic modelling

In this article, we couple microkinetic modelling, ab initio thermodynamics and Wulff–Kaishew construction to describe the structural variation of catalyst materials as a function of the chemical potential in the reactor. We focus specifically on experiments of catalytic partial oxidation (CPO) of m...

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Detalles Bibliográficos
Autores principales: Cheula, Raffaele, Soon, Aloysius, Maestri, Matteo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6333263/
https://www.ncbi.nlm.nih.gov/pubmed/30713655
http://dx.doi.org/10.1039/c8cy00583d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6333263/
https://www.ncbi.nlm.nih.gov/pubmed/30713655
http://dx.doi.org/10.1039/c8cy00583d

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