Despite its advantages, process simulation in catalysis faces several challenges:
Complexity: Catalytic reactions can be highly complex, involving multiple steps and intermediates. Data Availability: Accurate simulation requires precise kinetic and thermodynamic data, which may not always be available. Computational Resources: High-fidelity simulations can be computationally intensive, requiring significant resources. Model Accuracy: Ensuring that the selected models accurately represent the real-world process is crucial. Integration: Combining simulation results with experimental data and other process information can be challenging.
