We propose and numerically solve a phenomenological model for reduction of nitric oxide NO by hydrogen \(\hbox {H}_2\) over supported catalysts. The model is based on the coupled system of PDEs with nonclassic conjugate conditions at the catalyst–support interface and includes the adsorption and desorption of particles of both reactants, surface diffusion of adsorbed molecules, and their surface reaction. We study the influence of the surface diffusivity, the particle jumping rate constants via the catalyst–support interface, and the concentration of reactants on the catalytic reactivity of the catalyst. We find that under specific values of kinetic rate constants, the turnover frequency of molecules of both reactants into \(\hbox {H}_2\)O can possess one, two, or three peaks, whereas the turnover frequency of the reactant particles into \(\hbox {N}_2\), \(\hbox {N}_2\)O, and \(\hbox {NH}_3\) can have one or two peaks. We also give the other model based on the coupled system of ODEs. We show that turnover frequencies obtained by both models differ slightly only for large values of the surface diffusivity.

我们提出并用数值方法解决了在负载型催化剂上通过氢\（\ hbox {H} _2 \）还原一氧化氮NO的现象学模型。该模型基于在催化剂-载体界面上具有非经典共轭条件的PDE耦合系统，包括两种反应物颗粒的吸附和解吸，吸附分子的表面扩散及其表面反应。我们研究了表面扩散率，通过催化剂-载体界面的颗粒跳跃速率常数以及反应物浓度对催化剂催化反应性的影响。我们发现，在特定的动力学速率常数值下，两种反应物分子的周转频率为\（\ hbox {H} _2 \）O可以具有一个，两个或三个峰，而反应物粒子进入\（\ hbox {N} _2 \），\（\ hbox {N} _2 \） O和\（\ hbox {NH } _3 \）可以有一个或两个峰值。我们还给出了基于ODE耦合系统的其他模型。我们表明，两个模型获得的周转频率仅在较大的表面扩散率值上略有不同。