A new skeletal mechanism of n-butane is developed for describing its ignition and combustion characteristics applicable over a wide range of conditions: initial temperature 690–1430 K, pressure 1–30 atm, and equivalence ratio 0.5–2.0. Starting with a detailed chemical reaction kinetic model of 230 species and 1328 reactions (Healy et al., Combust. Flame, 2010), the directed relation graph method is applied as the first step to derive a semi-detailed mechanism with 134 species. Then, the reaction path analysis in conjunction with temperature sensitivity analysis is used to remove the redundant species and reaction paths simultaneously under the condition of low-temperature and moderate-to-high temperatures, respectively. Finally, a skeletal n-butane mechanism consisting of 86 species and 373 reactions can be obtained. Mechanism validation indicates that the new developed skeletal mechanism is in good agreement with the detailed mechanism in predicting the global ignition and combustion characteristics. The new skeletal mechanism is further validated using extensive available literature data including rapid pressure machine ignition delay time, shock-tube ignition delay time, laminar flame speed, and jet-stirred reaction oxidation, covering a large range of temperatures, pressures, and equivalence ratios. The comparison results demonstrate that a satisfactory agreement between predictions and experimental measurements is achieved.

开发了一种新的正丁烷骨架机理，用于描述其在广泛条件下的点火和燃烧特性：初始温度690-1430 K，压力1-30 atm，当量比0.5-2.0。从详细的230种化学反应动力学模型和1328种反应开始（Healy等人，Combust。Flame，2010），第一步是应用有向关系图方法来推导具有134种半详细机制。然后，将反应路径分析与温度敏感性分析相结合，分别在低温和​​中高温条件下同时去除多余的物种和反应路径。最后，可以得到由86个物种和373个反应组成的骨架正丁烷机理。机构验证表明，新开发的骨架机构与详细机构在预测整体点火和燃烧特性方面非常吻合。使用大量可用的文献数据进一步验证了新的骨骼机制，包括快速压力机点火延迟时间，冲击管点火延迟时间，层流火焰速度，和喷射搅拌的反应氧化，涵盖了大范围的温度，压力和当量比。比较结果表明，在预测和实验测量之间实现了令人满意的一致性。