How to Incorporate Experimental Data into Catalytic Models?
Incorporating experimental data into catalytic models involves several steps:
Developing a theoretical model based on fundamental principles of chemistry and physics. Inputting experimental data into the model to validate and refine it. Using the model to predict catalytic behavior under various conditions and to design new catalysts. Iteratively refining the model as new experimental data becomes available.
Techniques such as density functional theory (DFT) and molecular dynamics simulations are often used in conjunction with experimental data to create comprehensive models.
