graph theory

How Can Graph Theory Aid in Understanding Catalyst Deactivation?

Catalyst deactivation is a major challenge in catalysis, and graph theory can help in understanding the underlying causes. By modeling the catalyst and its interactions with reactants, products, and poisons as a graph, researchers can identify the pathways leading to deactivation. This can help in developing strategies to mitigate deactivation, such as designing more robust catalysts or optimizing reaction conditions to minimize the formation of deactivating species.

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