Kinetic aspects of the operating parameters for the catalytic conversion of H₂/CO₂ to methanol over two novel catalysts were evaluated to understand the effect of the polymorphic ZrO₂ phase composed of Cu^0/+-ZnO sites at the atomic level and its impact on the reaction mechanism. The catalysts were characterized by in situ and ex-situ XRD, N₂ adsorption/desorption isotherms, FRX, TPR, TPD-N₂O, in situ XANES, TPD-CO₂, and in situ DRIFTS techniques. The influence of different reaction variables such as the GHSV, temperature, pressure, and H₂/CO₂ ratio were studied using a fixed bed continuous plug flow reactor. The Cu-ZnO catalyst supported on the tetragonal zirconia polymorph exhibited the highest methanol yield due to the lower activation energy when compared to the catalyst with a greater amount of the monoclinic phase. In addition, the catalysts were reused for 8 cycles of 6 h to evaluate their stability, which can translate into lower costs for large-scale methanol production. The estimation of the kinetic parameters for the Cu-Zn oxide catalysts supported on ZrO₂ polymorphs was important to understand the reaction mechanism, as well as to provide useful information for scaling up the process.

评估了在两种新型催化剂上将H ₂ /CO ₂催化转化为甲醇的操作参数的动力学方面，以了解由 Cu ^0/+ -ZnO 位点组成的多晶型 ZrO ₂相在原子水平上的影响及其影响关于反应机理。通过原位和非原位XRD、N ₂吸附/解吸等温线、FRX、TPR、TPD-N ₂ O、原位XANES、TPD-CO ₂和原位漂移技术对催化剂进行表征。GHSV、温度、压力和H ₂等不同反应变量的影响使用固定床连续活塞流反应器研究/CO ₂比。与具有较大量单斜晶相的催化剂相比，由于较低的活化能，负载在四方氧化锆多晶型物上的 Cu-ZnO 催化剂表现出最高的甲醇产率。此外，催化剂被重复使用 8 个循环 6 小时以评估其稳定性，这可以转化为大规模甲醇生产的低成本。估计负载在 ZrO ₂多晶型物上的 Cu-Zn 氧化物催化剂的动力学参数对于理解反应机理以及为扩大该过程提供有用的信息很重要。