With the growing global focus on environmental and energy issues, hydrogen has garnered significant attention as a green energy source. It leads to extensive research on hydrogen production and storage. This study primarily investigates hydrogen production based on the non-catalytic reaction pathways of methane, using molecular dynamics to explore the combustion reaction pathways of methane under high equivalence ratio conditions, as well as the influence of acetylene blending on these reaction pathways. A porous medium micro-combustor is utilized as the reactor to study the effects of different blending ratios and equivalence ratios on hydrogen production efficiency. By analyzing several elementary reactions that play a major role in hydrogen production, the study examines the mechanisms and differences in the effects of blending ratio and equivalence ratio. The results show that increasing the equivalence ratio and blending ratio can both reduce the oxidation reactions of hydrogen by lowering the concentration of OH radicals during the post-combustion period. However, acetylene blending can enhance the chain reaction rate during the ignition delay period through oxidative dehydrogenation, thus accelerating the oxidation process of methane. The study also concludes that under high equivalence ratio conditions, further increasing the blending ratio can actually reduce flame stability, thereby affecting hydrogen production efficiency. The results indicate that at high blending ratios, the highest hydrogen production efficiency is achieved when the equivalence ratio is controlled at 1.35. Finally, the study investigates the effect of different inlet flow rates on hydrogen production efficiency under the condition of an equivalence ratio of 1.35. The findings show that, due to the sufficient size of the combustor allowing complete reaction of H radicals, the inlet flow rate has a minimal impact on hydrogen production efficiency, with the mass flow rate of hydrogen at the outlet being directly proportional to the flow rate of the mixed gas.

中文翻译：

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多孔介质微燃烧器中富甲烷-乙炔共混制氢反应机理的开发


随着全球对环境和能源问题的日益关注，氢气作为一种绿色能源受到了极大的关注。它导致了对氢气生产和储存的广泛研究。本研究主要研究了基于甲烷非催化反应途径的制氢，利用分子动力学探讨了高当量比条件下甲烷的燃烧反应途径，以及乙炔混合对这些反应途径的影响。以多孔介质微燃烧器为反应器，研究了不同混合比和当量比对制氢效率的影响。通过分析在制氢中起主要作用的几种基本反应，该研究考察了混合比和当量比的影响机制和差异。结果表明，提高当量比和混合比都可以通过降低后燃烧期间 OH 自由基的浓度来减少氢的氧化反应。然而，乙炔共混可以通过氧化脱氢提高点火延迟期的链式反应速率，从而加速甲烷的氧化过程。该研究还得出结论，在高当量比条件下，进一步提高混合比实际上会降低火焰稳定性，从而影响制氢效率。结果表明，在高混合比下，当当量比控制在 1.35 时，可实现最高的制氢效率。最后，该研究考察了当量比为 1.35 的条件下不同入口流速对制氢效率的影响。 研究结果表明，由于燃烧器的足够尺寸允许 H 自由基完全反应，因此入口流速对制氢效率的影响最小，出口氢气的质量流量与混合气体的流速成正比。