基于误差传播和灵敏度分析的有向关系图生成替代燃料的故障机理
Skeletal mechanism generation for surrogate fuels using directed relation graph with error propagation and sensitivity analysis
摘要：
一种新的实现骨架减少大的详细的反应机制，使用有向关系图与误差传播和灵敏度分析（DRGEPSA）的开发和三个碳氢化合物组分，正庚烷，异辛烷，正癸烷，相关的替代燃料的发展的例子。DRGEPSA集成了两个以前开发的方法，有向关系图辅助灵敏度分析（DRGASA）和有向关系图与错误传播（DRGEP），通过首先应用DRGEP有效地删除许多不重要的物种之前，灵敏度分析，以进一步删除不重要的物种，产生一个最佳的小骨架机制给定的错误限制。它表明，DRGEP和DRGASA方法的组合允许DRGEPSA方法，以克服各自的弱点，特别是DRGEP不能识别所有不重要的物种，DRGASA屏蔽不重要的物种从删除。对DRGEP、DRGASA和DRGEPSA方法生成正庚烷和异辛烷的反应机理进行了比较，以说明DRGEPSA方法的改进。从一个详细的反应机制，正构烷烃涵盖正辛烷正十六烷2115物种和8157反应，正癸烷产生的两个骨架机制，使用DRGEPSA，一个涵盖了全面的温度，压力和当量比条件自燃和其他限于高温，提出和验证。综合骨架机理包括202个物种和846个反应，高温骨架机理包括51个物种和256个反应。这两种机制被进一步证明，以及再现的详细机制的结果在完美搅拌反应器和层流火焰模拟在很宽的范围内的条件。
英文摘要：
A novel implementation for the skeletal reduction of large detailed reaction mechanisms using the directed relation graph with error propagation and sensitivity analysis (DRGEPSA) is developed and presented with examples for three hydrocarbon components, n-heptane, iso-octane, and n-decane, relevant to surrogate fuel development. DRGEPSA integrates two previously developed methods, directed relation graph-aided sensitivity analysis (DRGASA) and directed relation graph with error propagation (DRGEP), by first applying DRGEP to efficiently remove many unimportant species prior to sensitivity analysis to further remove unimportant species, producing an optimally small skeletal mechanism for a given error limit. It is illustrated that the combination of the DRGEP and DRGASA methods allows the DRGEPSA approach to overcome the weaknesses of each, specifically that DRGEP cannot identify all unimportant species and that DRGASA shields unimportant species from removal. Skeletal mechanisms for n-heptane and iso-octane generated using the DRGEP, DRGASA, and DRGEPSA methods are presented and compared to illustrate the improvement of DRGEPSA. From a detailed reaction mechanism for n-alkanes covering n-octane to n-hexadecane with 2115 species and 8157 reactions, two skeletal mechanisms for n-decane generated using DRGEPSA, one covering a comprehensive range of temperature, pressure, and equivalence ratio conditions for autoignition and the other limited to high temperatures, are presented and validated. The comprehensive skeletal mechanism consists of 202 species and 846 reactions and the high-temperature skeletal mechanism consists of 51 species and 256 reactions. Both mechanisms are further demonstrated to well reproduce the results of the detailed mechanism in perfectly-stirred reactor and laminar flame simulations over a wide range of conditions.
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