Numerical optimisation for model evaluation in combustion kinetics
Numerical optimisation for model evaluation in combustion kinetics
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DOI：
10.1016/j.apenergy.2015.05.002
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发表时间：
2015-10
期刊：
影响因子：
11.2
通讯作者：
M. Fischer;Xi Jiang
中科院分区：
文献类型：
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作者：
M. Fischer;Xi Jiang
与动力学参数估计和模型评估相关的数值优化在燃烧以及应用能源研究的其他领域中发挥着越来越重要的作用。本工作的目的是目前的概率为基础的方法沿着应用程序的燃烧化学动力学的真实的问题。阐述了模型和参数估计的主要方法。一个系统的调整动力学参数的实验测量的内部程序已被描述和数值验证。GRI（气体研究所）机制（版本3.0）已被证明最初导致的结果是在很大程度上与实验数据的差异有关的CH 3和C2 H 6的燃烧。一个彻底的优化所有参数已执行这些配置文件。一个相当大的改进可以达到和新的预测似乎是兼容的测量不确定性。它也被发现，无论是GRI 3.0或其他三个反应机制，在目前的工作中考虑（没有事先深远的优化）的燃烧室和发动机的数值模拟中，CH 3和C 2 H 6起着重要的作用。总体而言，这项研究说明了优化方法和模型评价在燃烧化学动力学领域之间的联系。
Numerical optimisation related to the estimation of kinetic parameters and model evaluation is playing an increasing role in combustion as well as in other areas of applied energy research. The present work aims at presenting the current probability-based approaches along applications to real problems of combustion chemical kinetics. The main methods related to model and parameter evaluation have been explicated. An in-house program for the systematic adjustment of kinetic parameters to experimental measurements has been described and numerically validated. The GRI (Gas research institute) mechanism (version 3.0) has been shown to initially lead to results which are greatly at variance with experimental data concerning the combustion of CH 3 and C 2 H 6. A thorough optimisation of all parameters has been performed with respect to these profiles. A considerable improvement could be reached and the new predictions appear to be compatible with the measurement uncertainties. It was also found that neither GRI 3.0 nor three other reaction mechanisms considered during the present work should be employed (without prior far-reaching optimisation) for numerical simulations of combustors and engines where CH 3 and C 2 H 6 play an important role. Overall, this study illustrates the link between optimisation methods and model evaluation in the field of combustion chemical kinetics.