Dehydrogenation of formic acid on RUB-15-NH₂ supported Pd-Zr nanoparticles: optimization via central composite design

This research presents a different approach by simultaneously designing experiments for the process and materials and synthesizing the RUB-15-NH₂ support, with the aim of improving the efficiency of hydrogen production and supporting energy sustainability. Pd-ZrO₂/RUB-15-NH₂ catalysts with different weight percentages of palladium (Pd) and zirconium (Zr) were synthesized and applied in the hydrogen (H₂) production process through formic acid decomposition (FAD). Several techniques including X-ray diffraction, Fourier transform infrared spectroscopy, scanning and transmission electron microscopy, and Brunauer-Emmett-Teller analysis were employed to characterize the catalysts. The best gas (CO₂ + H₂) production of 110 mL was achieved at 60 °C with an excellent TOF = 93 mol_CO2+H2 mol_pd⁻¹ h⁻¹. A central composite design (CCD) experiment was conducted and analyzed using the Design-Expert program to identify the maximum H₂ production (mL). The model predicted a gas production of 112.35 mL for the catalyst under optimal conditions (18 mL water, 2.5% Pd, 0.2% Zr, and a temperature of 60 °C). When the experiment was repeated under the same conditions, the results closely matched the model’s prediction.