甲烷燃烧的骨架反应模型
Skeletal Reaction Models for Methane Combustion
AI总结：
本研究基于FFCM-1，采用f-OTD方法计算敏感性并排序重要组分，构建不同精度的甲烷燃烧骨架反应模型，验证表明24组分及以上模型可高精度复现原模型结果。
摘要：
本研究采用局部敏感性分析技术，从基础燃料化学模型（FFCM-1）出发构建全新的甲烷燃烧骨架反应模型。研究通过强制最优时变（f-OTD）方法，计算热化学变量对反应速率的敏感性：该方法将包含所有局部敏感性的大型敏感性矩阵，建模为两个低秩时变矩阵的乘积，矩阵的演化方程由系统的控制方程推导而来。研究针对甲烷在常压与高压下、不同初始温度组及当量比条件下的自燃过程，计算了建模后的敏感性，随后分析这些敏感性以对最重要（敏感性最高）的组分进行排序。研究提出了一系列包含不同组分数目、复现FFCM-1结果的精度水平各异的骨架模型，并将生成模型在预测点火延迟、层流火焰速度和火焰熄灭方面的性能与FFCM-1进行对比。对比评估结果表明，包含24种及以上组分的骨架模型能以极高精度复现FFCM-1的计算结果。
英文摘要：
A local-sensitivity-analysis technique is employed to generate new skeletal reaction models for methane combustion from the foundational fuel chemistry model (FFCM-1). The sensitivities of the thermo-chemical variables with respect to the reaction rates are computed via the forced-optimally time dependent (f-OTD) methodology. In this methodology, the large sensitivity matrix containing all local sensitivities is modeled as a product of two low-rank time-dependent matrices. The evolution equations of these matrices are derived from the governing equations of the system. The modeled sensitivities are computed for the auto-ignition of methane at atmospheric and high pressures with different sets of initial temperatures, and equivalence ratios. These sensitivities are then analyzed to rank the most important (sensitive) species. A series of skeletal models with different number of species and levels of accuracy in reproducing the FFCM-1 results are suggested. The performances of the generated models are compared against FFCM-1 in predicting the ignition delay, the laminar flame speed, and the flame extinction. The results of this comparative assessment suggest the skeletal models with 24 and more species generate the FFCM-1 results with an excellent accuracy.
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