Optimization of operating conditions for anisole hydrodeoxygenation reaction over Zr-based metal-organic framework supported Pt catalyst

To optimize the operating conditions for catalytic hydrodeoxygenation (HDO) of anisole in a continuous fixed-bed reactor, the response surface methodology combined with the central composite design was used to maximize the conversion by tuning the molar ratio of H-2 to anisole, temperature, and pressure, which are considered key parameters on catalytic reaction. Analysis of variance was used to determine the regression model's compatibility. The catalyst was prepared using a Zr-based metal-organic framework, UiO-67, as a support, which was synthesized under microwave-assisted solvothermal reaction, followed by loading Pt nanoparticles on its surface via a double solvent method. The results demonstrated that the obtained mathematical model accurately predicted the conversion, which was more greatly influenced by temperature in comparison with the H-2/anisole molar ratio and pressure in HDO reaction over the 3 wt% Pt/UiO-67 catalyst. Concurrently, the highest conversion of 92.5% was obtained under the optimum conditions: H-2/anisole molar ratio of 35.2, reaction temperature of 297.6 degrees C, and a reaction pressure of 12.8 bar. The relative error was only 1.08% when compared with experimental values obtained under near-optimum conditions. Furthermore, at high temperatures, the reaction pathway followed the demethoxylation trend, yielding cyclohexane and benzene as the main products.

Automated summary

By using response surface methodology combined with the central composite design, the operating conditions for catalytic hydrodeoxygenation of anisole were optimized, resulting in high conversion rates. It was found that temperature had the greatest effect on the conversion rate.