These calculations can give good matches between experimental and calculated data, and they provide information on the orbital nature, energies and strengths of the transitions.
In general, a good agreement between experimental and calculated results is obtained.
A good agreement between experimental and calculated hydrogen consumption rates is observed.
Industrial experiments are carried out, and the proposed method is validated through comparison between experimental and calculated results.
The validity of this description was confirmed by a good quantitative agreement between experimental and calculated data.
Fair agreement was obtained between experimental and calculated data for CR ≥ 3, when the concentration term represented AlF3.
The good agreement between experimental and calculated data shows that the proposed modelling procedure could represent a good tool for designing and controlling protection activity on cultural heritage.
The discrepancy between experimental and calculated results is so reduced from 20%to5%5% for the MRT and from 25%to5%5% for the mean solid hold-up.
The correlation between experimental and calculated results is reasonably good, and the model predicts correctly the trends of variation with the different operating and design parameters.
To achieve the best fit between experimental and calculated data, the kinetic equations had to be proposed with a small value of the transfer coefficient (β<0.2).
For the available experimental data in the absence of external electric fields, a reasonable agreement between experimental and calculated results is found for CO chemisorbed on Pt(100).
