2022
DOI: 10.3390/catal12040402
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H2 Photoproduction Efficiency: Implications of the Reaction Mechanism as a Function of the Methanol/Water Mixture

Abstract: The influence of the reaction pathway of the sacrificial molecule oxidation to generate hydrogen is here investigated for lean and rich methanol reaction mixtures. Pt-TiO2 powders promoted or not with tin sulfide were used as catalysts. With the help of in situ infrared experiments under reaction conditions, methanol evolution was shown to take place by hole-related oxidation steps, with alkoxy and carbon-centered species as key radical species. The study analyzed quantitatively the fate and chemical use of th… Show more

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“…Validated CFD models and trustable experimental data could complement each other, assisting in the simulation of photoreactors for hydrogen production, using optimized QYs and PTEFs. Once this laboratory phase is completed, reactor scale-up could be addressed via CFD with a reliable kinetic-radiation model [126][127][128]. CFD would provide flow patterns, radiation and chemical species distributions and reactor performance (see figure 13(b)).…”
Section: Computational Fluid Dynamics (Cfd) and Machine Learning (Ml)mentioning
confidence: 99%
“…Validated CFD models and trustable experimental data could complement each other, assisting in the simulation of photoreactors for hydrogen production, using optimized QYs and PTEFs. Once this laboratory phase is completed, reactor scale-up could be addressed via CFD with a reliable kinetic-radiation model [126][127][128]. CFD would provide flow patterns, radiation and chemical species distributions and reactor performance (see figure 13(b)).…”
Section: Computational Fluid Dynamics (Cfd) and Machine Learning (Ml)mentioning
confidence: 99%