A dynamic kinetic model is proposed to describe the CO₂ adsorption and in situ hydrogenation to CH₄ on a 4%Ru-10%Na₂CO₃/Al₂O₃ catalyst. One dimensional isothermal heterogeneous plug flow reactor model with axial dispersion is considered. The reaction network and kinetic equations are deduced from experimental data analysis. The molecular modeling includes competitive adsorption of CO₂ and H₂O on same adsorption site. During CO₂ storage period, CO₂ is adsorbed onto Na₂O species to form Na₂CO₃. Alternatively, CO₂ can be also adsorbed onto NaOH species releasing H₂O to the gas phase, which can further be adsorbed onto free adsorption sites located downstream. It was needed to consider formation of unstable bicarbonates to fit the experimental data. During CO₂ hydrogenation step, adsorbed carbonates are decomposed, promoted by the presence of H₂. CH₄ is then formed through the Sabatier’s reaction and the as-formed H₂O interacts with regenerated adsorption sites. Temporal evolution of CO₂, CH₄ and H₂O during CO₂ storage and hydrogenation cycles is accurately predicted by the model, for a wide range of reactant concentrations and temperature (250−400 °C), gaining understanding on mechanisms and dynamics of the process on dual function materials.

提出了一个动力学模型来描述在4％Ru-10％Na ₂ CO ₃ / Al ₂ O ₃催化剂上CO _2的吸附和原位加氢成CH ₄。考虑轴向分散的一维等温非均质塞流反应器模型。从实验数据分析推导了反应网络和动力学方程。分子模拟包括CO的竞争吸附₂和H ₂ O于相同的吸附位点。在CO ₂储存期间，CO ₂吸附到Na ₂ O物种上形成Na ₂ CO ₃。或者，CO ₂也可以被吸附到NaOH物质上，从而将H ₂ O释放到气相中，而H ₂ O可以被进一步吸附到位于下游的自由吸附点上。需要考虑形成不稳定的碳酸氢盐以适应实验数据。在CO ₂加氢步骤中，H ₂的存在促进了吸附的碳酸盐分解。然后通过Sabatier反应形成CH ₄，而形成的H ₂ O与再生的吸附位相互作用。CO ₂期间CO ₂，CH ₄和H ₂ O的时间演变 该模型可在广泛的反应物浓度和温度（250-400°C）范围内，通过模型准确地预测储存和氢化周期，从而加深对双功能材料工艺过程的机理和动力学的了解。