How Does Modelling Software Aid in Catalyst Design?
Modelling software aids in catalyst design by allowing researchers to:
Predict Catalytic Activity: By simulating reaction mechanisms, researchers can predict which catalysts will be most effective for a given reaction. Optimize Catalyst Structure: Modelling can help in identifying the optimal structure and composition of catalysts to enhance their performance. Understand Mechanisms: Detailed simulations provide insights into the mechanisms of catalytic reactions, which can be used to design better catalysts.
