The process generally involves the following steps:
Model Selection: Choosing the appropriate mathematical models to represent the catalytic process. Data Collection: Gathering necessary data, such as kinetic parameters, thermodynamic properties, and reactor specifications. Software Utilization: Using specialized software like Aspen Plus, COMSOL Multiphysics, or MATLAB to perform simulations. Validation: Comparing simulation results with experimental data to ensure accuracy. Optimization: Adjusting parameters to achieve desired performance metrics.
