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Kinetic Modeling of NO_x Formation and Consumption during Methanol and Ethanol Oxidation

机译:甲醇和乙醇氧化过程中NO_x形成和消耗的动力学模型

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摘要

This work presents a newly developed model for the oxidation of methanol and ethanol and their fuel interaction with NOx (NO and NO2) chemistry in jet-stirred and flow reactors, freely propagating and burner-stabilized premixed flames, as well as shock tubes. This work takes into account a very recent study on NO formation in pure methanol and ethanol burner-stabilized flames (Combust. Flame, 194, 363-375, 2018), augmented with so far unpublished experimental data. The paper mainly focuses on fuel interaction with nitrogen chemistry and NO formation in laminar premixed flames but also considers the formation and reduction of nitrogen oxides depending on the conditions of the surrounding gas phase. In agreement with previous experimental work, we find that doping of fuel blends with NO shifts the onset of fuel oxidation to lower temperatures depending on the gas conditions. The model suggests that the reactivity promoting effect of NO is mainly due to the net increase of OH radical concentrations, which causes increased fuel oxidation via the NO/NO2 interconversion reaction channel, NO+HO2?NO2+OH, NO2+H?NO+OH, NO2+HO2?HONO+O-2,O- followed by the thermal decomposition of HONO. In burner-stabilized premixed ethanol flames, NO is mainly formed via a NCN pathway for all equivalence ratios, while for methanol flames the NCN pathway is only favored at rich conditions and the N2O pathway is favored at lean conditions.
机译:这项工作提出了一种新开发的模型,用于在喷射搅拌和流动反应器,自由传播和燃烧器稳定的预混火焰以及激波管中甲醇和乙醇的氧化以及燃料与NOx(NO和NO2)化学的相互作用。这项工作考虑了最近对纯甲醇和乙醇燃烧器稳定的火焰中NO生成的研究(Combust。Flame,194,363-375,2018),迄今为止还没有发表过实验数据。本文主要研究层流预混火焰中燃料与氮化学的相互作用和NO的形成,但也根据周围气相的条件考虑氮氧化物的形成和还原。与先前的实验工作相一致,我们发现掺入NO的混合燃料可根据气体条件将燃料氧化的开始转变为较低的温度。该模型表明,NO的反应促进作用主要归因于OH自由基浓度的净增加,这通过NO / NO2相互转化反应通道,NO + HO2?NO2 + OH,NO2 + H?NO +引起燃料氧化增加。 OH,NO2 + HO2→HONO + O-2,O-,然后热分解HONO。在燃烧器稳定的预混合乙醇火焰中,对于所有当量比,主要通过NCN途径形成NO,而对于甲醇火焰,仅在富燃条件下有利于NCN途径,而在贫油条件下有利于N2O途径。

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