From Catalytic Test Reaction to Modern Chemical Descriptors in Zeolite Catalysis Research

Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics.

The methanol-to-olefin process is a showcase example of complex zeolite-catalyzed chemistry. At real operating conditions, many factors affect the reactivity, such as framework flexibility, adsorption of various guest molecules, and competitive reaction pathways. In this study, the strength of first principle molecular dynamics techniques to capture this complexity is shown by means of two case...

Zeolite Catalysis

The Special Issue “Zeolite Catalysis” published in the online journal Catalysts was recently successfully completed. A good number of peer-reviewed publications were published reflecting the broadness of the zeolite syntheses, characterizations and various application fields. This issue brought together recent research of well-known research teams from all over the world. The term “zeolite” is ...

Supporting Information Complex Reaction Environments and Competing Reaction Mechanisms in Zeolite Catalysis: Insights from Advanced Molecular Dynamics

Understanding the window effect in zeolite catalysis.

Morphology Induced Shape Selectivity in Zeolite Catalysis