NOx是氫燃料內燃機主要的有害排放物。研究發現，氫燃料內燃機在高負荷時會產生大量的NOx排放，這是很難避免的；研究者們將NOx排放歸結于缸內溫度的升高，并發現采用稀薄燃燒、推遲點火、廢氣再循環等方法都能有效地降低NOx排放[11-14]。上述研究主要由試驗得到了NOx排放隨內燃機控制參數變化的規律，但鮮有對其生成機理的研究。 氮氣在高溫下的氧化是一個復雜的過程，采用化學反應動力學方法分析反應是有效的手段。本文基于已有的氫燃料內燃機試驗樣機建立三維網格耦合化學反應機理的CFD仿真模型，研究缸內燃燒和排放物生成過程，揭示氫燃料內燃機在不同負荷下的燃燒及排放生成規律。

NOx is one of the major pollutants emitted by hydrogen-fueled internal combustion engines (HICEs). HICEs usually generate and emit large amounts of NOx under high loads, which is an inevitable phenomenon and is attributed to the temperature rise in the cylinder [11–14]. Various technologies, such as lean burn, retarded ignition, and exhaust gas recirculation, have been found to be effective in reducing NOx emissions. However, although these studies have investigated the variation in NOx emissions with changes in the control parameters of internal combustion (IC) engines, mostly through experimental methods, the mechanism of NOx formation has rarely been discussed. Oxidation of nitrogen under high temperatures is a complex process. The reactions involved in this process can be effectively studied using chemical kinetics. In this study, by creating a 3-D computational fluid dynamics model coupled with chemical kinetics based on an existing HICE prototype, we investigated the combustion and pollutant-formation processes occurring inside the cylinder. The study aims to elucidate the underlying mechanisms of combustion and pollutant formation in the HICE at various loads.