Determining these parameters involves a combination of experimental and computational techniques:
- Experimental Methods: Techniques such as spectroscopy, chromatography, and calorimetry can be used to measure reaction rates, adsorption energies, and other parameters. - Computational Methods: Quantum chemistry calculations and molecular dynamics simulations can provide insights into activation energies, adsorption properties, and reaction mechanisms. Software tools like Density Functional Theory (DFT) are commonly used.
