In the example of homogeneous catalysis provided in JCIM (J. Chem. Inf. Model. 2023, 63, 3377−3391), the pre-exponential factor (A) is a constant value, and the activation energy (Ea) is replaced using Gibbs free energy (ΔGts), indicating that the pre-exponential factor is calculated using the formula for surface reactions. So for homogeneous catalytic reactions, what do the site density (σ) and the number of surface specifications (m) in the formula represent?
Dear all,
In the example of homogeneous catalysis provided in JCIM (J. Chem. Inf. Model. 2023, 63, 3377−3391), the pre-exponential factor (A) is a constant value, and the activation energy (Ea) is replaced using Gibbs free energy (ΔGts), indicating that the pre-exponential factor is calculated using the formula for surface reactions. So for homogeneous catalytic reactions, what do the site density (σ) and the number of surface specifications (m) in the formula represent?
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