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ILDMs OF HIGHER HYDROCARBONS AND THE HIERARCHY OF CHEMICAL KINETICS

机译:富含碳氢化合物的I ildm和化学动力学的层次

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It is well known that the combustion of higher hydrocarbons is governed by a hierarchical structure of the underlying detailed reaction mechanisms. This allows (at least for high-temperature kinetics) the construction of combustion mechanisms for higher hydrocarbons based on the H_2, CO, and C_1-C_4 oxidation mechanisms by adding reactions for the decomposition of the higher hydrocarbons. In this work, we show how this hierarchical structure is reflected in simplified kinetic schemes based on intrinsic low-dimensional manifolds (ILDMs). An analysis of the dynamical behavior of the chemical system reveals that (at least for low dimensions) the dynamics can be represented by generic ILDMs which do not depend on the specific fuel considered. This allows the construction of ILDMs of higher hydrocarbons based on existing ILDMs of much simpler reaction mechanisms for C_1-C_2 or C_1-C_4 chemistry. Examples are shown for combustion of syngas, methane, iso-octane, n-dodecane, and other fuels. They verify the approach. The method can, however, he applied to a variety of other combustion systems, too.
机译:众所周知,较高烃的燃烧受到底层详细反应机制的层次结构的管辖。这允许(至少用于高温动力学)基于H_2,CO和C_1-C_4氧化机制来构建高碳氢化合物的燃烧机制通过添加更高烃的分解反应。在这项工作中,我们展示了基于固有的低维歧管(IILDMS)的简化动力方案反映了该层次结构。对化学系统的动态行为的分析表明(至少用于低维度)动态可以通过通用ildM表示,其不依赖于考虑的特定燃料。这允许基于对C_1-C_2或C_1-C_4化学的更简单的反应机制的现有I ildms构建较高烃的耐族。显示用于燃烧合成气,甲烷,异辛烷,N-十二烷和其他燃料的实施例。他们验证了这种方法。然而,该方法也可以应用于各种其他燃烧系统。

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