Abstract: A detailed chemical reaction kinetics model of three-component surrogate fuel (73% n-dodecane， 14.7%1， 3， 5-3 methyl cyclohexane and 12.3% n-propylbenzene) for aviation kerosene RP-3 was simplified， and the simplified mechanism of three surrogate fuel was validated. The purpose of this paper is to obtain the simplified mechanism that can be used for engineering numerical simulation with acceptable accuracy. In the detailed chemical reaction kinetics model， 257 components and 874 elementary reactions are included. The first step， by using Directed relation graph (DRG)， a mechanism consisting 109 components and 423 elementary reactions from the detailed model was obtained. Then based on the results of the first simplified step， the Directed relation graph based on error propagation (DRGEP) and Computational singular perturbation (CSP) were applied during the second simplified step， a 84-component and 271-elementary-reaction mechanism was obtained. Finally， the path analysis was applied to analyze its combustion path under the atmospheric and high temperature conditions， by removing the unimportant reaction paths or supplementing the important paths of the second simplified mechanism， the simplification mechanism of three-component surrogate fuel which includes 59 components and 158 elementary reactions was obtained. Experimental data of the ignition delay time and the laminar flame velocity for RP-3 kerosene were used to verify the simplified mechanism of the three-component fuel， the numerical results show that the results of the simplified mechanism of three component alternative fuel are in good agreement with the experimental data. In order to verify the engineering practicability of the three-component surrogate fuel simplification mechanism proposed in this paper， the pre-mixed pre-evaporation combustion flame of the Bunsen burner was used to as the physical model. The numerical results applied by the simplified mechanism are agree well with the experimental data， and at the same time， the computation time for the engineering application is within the acceptable range. Therefore， it is shown that the simplified mechanism could be used for engineering simulation and its accuracy is reasonable.

Key words: Three component surrogate fuel；Aviation kerosene RP-3；Ignition delay；Laminar flame speed；Simplified mechanism；Pre-mixed pre-evaporation combustion

摘要： 对RP-3航空煤油三组分替代燃料(质量分数分别为73%的正十二烷、14.7%的1，3，5-三甲基环己烷和12.3%的正丙基苯)半详细化学反应动力学模型进行简化和验证，旨在获得可应用于工程计算且精度合理的三组分替代燃料简化机理。三组分替代燃料半详细化学反应动力学模型包含有257组分和874步基元反应。第一步采用直接关系图法(Directed relation graph，DRG)构建了109组分423步基元反应；第二步是在第一步的结果上采用基于误差传播的DRG方法(Directed relation graph based on error propagation，DRGEP)和计算奇异摄动法(Computational singular perturbation，CSP)，构建了84组分271步基元反应；最后采用路径分析法在常压高温条件下分析其燃烧路径，对比详细机理和第二步的简化机理，去除不重要的反应路径(在本文工况中化学反应速率很小的基元反应)或者补入被前两步简化方法删减错的重要路径。最终获得的适合常压高温燃烧的三组分替代燃料简化机理为59组分和158步基元反应。结合RP-3煤油点火延迟时间和层流火焰速度等试验数据对三组分替代燃料简化机理进行了验证，结果表明，本文获得的三组分替代燃料简化机理数值计算结果与试验数据较吻合。最后，为了验证三组分替代燃料简化机理工程实用性，以本生灯预混燃烧火焰为物理模型，利用三组分替代燃料简化机理对以航空煤油为燃料的本生灯预混预蒸发燃烧进行了数值模拟，计算结果表明，该简化机理数值计算结果与试验数据吻合，且计算时间能在工程应用可接受范围内，因此说明本文获得简化机理组分和反应步数合理，计算精度较为准确。

关键词: 三组分替代燃料；RP-3航空煤油；点火延迟；层流火焰速度；简化机理；预混预蒸发燃烧