Coprecipitation dispersion of Cu-Zn-Zr mixed oxides nanocatalyst over Si and Al-Based supports applied in selective and stable hydrogen production from Methanol: Experimental study and rate of reaction engineering via intelligent optimization of CFD method

Abstract

This study focused on evaluating different support materials made of silicon (Si) and aluminum (Al) for improving the properties of catalysts and their ability to produce high-purity hydrogen from methanol. Accordingly, four coprecipitation-supported nano-scale CuO/ZnO/ZrO2 catalysts were fabricated. Accordingly, MCM-41, γ-Al2O3, and activated alumina materials were used as supports for these catalysts. Various methods such as BET, EDX, FESEM, FTIR, PSD, and XRD were used to analyze the prepared catalysts. The results of FESEM and EDX indicated that using activated alumina as a support led to the smallest copper particle size and excellent dispersion on its surface, and prevented the agglomeration of particles. The catalyst made with activated alumina also had the largest surface area, which is beneficial for reactions. This catalyst showed strong methanol conversion ability and produced less undesirable CO during hydrogen production from methanol. Additionally, a stability test lasting 1220 min confirmed that this catalyst maintained consistent performance over time. A novel method combining CFD and genetic optimization algorithms was used to synthesize new catalysts for catalytic steam reforming of methanol. This approach accurately estimated reaction rates and activation energies, achieving an RMSE below 0.01 for all outcomes. The optimal catalyst, CZZ-Al2O3 (A), exhibited activation energies of 73.928 J/mol, 71.261 J/mol, 106.516 J/mol, and 143.217 J/mol with an RMSE of 0.0089.