Quantum mechanics calculation of catalytic properties of a copper sensor for prediction of flow characteristics in plasmatron

Basing on quantum-mechanical calculations within cluster models, rate coefficients of elementary steps of the complete system of heterogeneous catalytic recombination of dissociated oxygen on the copper oxide surface were determined. They were used for calculation of dependence of the effective coefficient of oxygen atom heterogeneous catalytic recombination on the temperature and partial pressure in a wide range of conditions at the surface. It has been established that its value substantially varies depending on the conditions at the surface.