Quantificational Study of Water Adsorption on the Surface of PuO₂ by Kinetic Monte Carlo

The dynamic data of water adsorption on the surface of PuO₂ by fitting the data from literature are obtained. By kinetic Monte Carlo (KMC), we have quantitatively studied the adsorption of water on the surface of PuO₂. Four adsorption curves were calculated: adsorption dynamic curve, thermal desorption curve, adsorption isotherm curve and adsorption isobar curve. Compared with the results of Paffett, Statebake, Haschke etc., the calculation error is below 20%.