The production of oxygenated hydrocarbons, hydrogen peroxide, and ethylene by low and intermediate temperature reactions of C1–C3 alkanes in a homogeneous charge compression ignition (HCCI) in an internal combustion engine was explored via single-zone modeling. For lean equivalence ratios, the main operating parameters were successively optimised with respect to intermediate species yield. A combination of 9–13 for compression ratio, 400 rpm for engine speed, and 0.05–0.25 for equivalence ratio was found for fixed intake temperature and pressure of 400 K and 1 bar, respectively. The optimum was sharply delineated in compression ratio, and widest in equivalence ratio. For these optimal parameters, 5–13.3% of the methane fuel was converted to formaldehyde and 1.6–3.4% to hydrogen peroxide, while more than 1% ethylene yield was found for ethane, and somewhat less for propane over that range. At this optimum, adding reactive species to methane as a fuel did not significantly improve yields, nor did varying intake temperature off the chosen 400 K, indicating that in fact the parameters combination is at least near-optimal. Operating conditions of an In-situ production unit of hydrogen peroxide and formaldehyde from methane partial oxidation have been explored to feed highly-efficient combustion and/or easy accessible/stabilised operating conditions of HCCI engine fuelled by low reactive fuel, the methane/natural gas.

中文翻译：

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HCCI 发动机中 C1-C3 烷烃反应物种形成的建模研究

通过单区模型探索了在内燃机的均质充量压缩点火 (HCCI) 中通过 C1-C3 烷烃的低温和中温反应生产氧化烃、过氧化氢和乙烯。对于贫油当量比，主要操作参数针对中间物种产量进行了连续优化。在固定进气温度和压力为 400 K 和 1 bar 的情况下，发现压缩比为 9-13，发动机转速为 400 rpm，当量比为 0.05-0.25。最佳值在压缩比上清晰地划分，在当量比上最宽。对于这些最佳参数，5-13.3% 的甲烷燃料转化为甲醛，1.6-3.4% 转化为过氧化氢，而乙烷的乙烯产率超过 1%，丙烷在该范围内略少。在这个最佳状态下，将反应性物质添加到甲烷作为燃料并没有显着提高产量，也没有改变所选 400 K 的进气温度，表明实际上参数组合至少接近最佳。已经探索了来自甲烷部分氧化的过氧化氢和甲醛的原位生产装置的运行条件，以提供高效燃烧和/或易于接近/稳定的以低活性燃料（甲烷/天然气）为燃料的 HCCI 发动机的运行条件.