Abstract Real distillate fuels usually contain thousands of hydrocarbon components. Over a wide range of combustion conditions, large hydrocarbon molecules undergo thermal decomposition to form a small set of low molecular weight fragments. In the case of conventional petroleum-derived fuels, the composition variation of the decomposition products is washed out due to the principle of large component number in real, multicomponent fuels. From a joint consideration of elemental conservation, thermodynamics and chemical kinetics, it is shown that the composition of the thermal decomposition products is a weak function of the thermodynamic condition, the fuel-oxidizer ratio and the fuel composition within the range of temperatures of relevance to flames and high temperature ignition. Based on these findings, we explore a hybrid chemistry (HyChem) approach to modeling the high-temperature oxidation of real, distillate fuels. In this approach, the kinetics of thermal and oxidative pyrolysis of the fuel is modeled using lumped kinetic parameters derived from experiments, while the oxidation of the pyrolysis fragments is described by a detailed reaction model. Sample model results are provided to support the HyChem approach.

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基于物理的真实燃料燃烧化学建模方法 - I. 实验证据以及热力学、化学动力学和统计考虑

摘要 真正的馏分燃料通常含有数以千计的碳氢化合物成分。在广泛的燃烧条件下，大的烃分子经历热分解以形成一小组低分子量碎片。在传统的石油衍生燃料的情况下，由于实际多组分燃料中组分数量大的原理，分解产物的组成变化被洗掉了。从元素守恒、热力学和化学动力学的联合考虑，表明热分解产物的组成是热力学条件、燃料-氧化剂比和燃料组成在相关温度范围内的弱函数。火焰和高温点火。基于这些发现，我们探索了一种混合化学 (HyChem) 方法来模拟真实馏分燃料的高温氧化。在这种方法中，燃料的热和氧化热解动力学使用从实验得出的集总动力学参数进行建模，而热解碎片的氧化由详细的反应模型描述。提供样本模型结果以支持 HyChem 方法。