Nanoscale physics

Statistical approach for theoretical description of catalytic hydrogen oxidation processes
Kostrobij P.P.1, Markovych B.M.1, Ryzha I.A.1, Tokarchuk M.V.2
1 Department of Applied Mathematics, Lviv Polytechnic National University, St. Bandera Str., 12, Lviv-79013, Ukraine. 
E-mail: iryna.a.ryzha@lpnu.ua
2 Institute for Condensed Matter Physics of NAS of Ukraine,
Svientsitskii Str., 1, Lviv-79011, Ukraine.

Environmental problems, which have recently become more acute and are largely associated with the negative impact of carbon monoxide (CO) on the one hand and significant interest in hydrogen (H) energy on the other, pose the task of finding the latest efficient (nano-, sub-atomic) catalysts containing transition metals [1, 2] for CO or H oxidation. Experimental development of such catalysts requires significant _financial costs, but the predictability of their effective operation is quite limited. The nature of surface phenomena in catalytic reactions is primarily due to the fact that the catalyst surface is magnetoactive in such reactions.
In our paper [3] a statistical description for the processes of catalytic hydrogen oxidation is proposed taking into account the reaction-diffusion processes for magnetoactive ions and atoms adsorbed on the metal surface. The basic non-Markov transfer equations are obtained for the abbreviated description parameters of reaction-diffusion processes for magnetoactive ions and atoms adsorbed on the metal surface in the method of nonequilibrium statistical Zubarev operator. Weakly nonequilibrium reaction-diffusion processes are also considered

1.	Yartys V. A., Lototskyy M. V., Akiba E. et al. Magnesium based materials for hydrogen based energy storage: Past, present and future // International Journal of Hydrogen Energy-2019.-44, N. 15.-P. 7809-7859.
2.	Suchorski Yu., Datler M., Bespalov I., Zeininger J., Stoger-Pollach M., Bernardi J., Gronbeck H., Rupprechter G. Surface-structure libraries: multifrequential oscillations in catalytic hydrogen oxidation on rhodium. // J. Phys. Chem. C.-2019.-123.-P. 4217-4227.
3.	Kostrobij P. P., Markovych B. M., Ryzha I. A., Tokarchuk M. V. Statistical theory of catalytic hydrogen oxidation processes. Basic equations // Mathematical Modeling and Computing.-2021.-8, N 2.-P. 267-281.