用准稳态方法建立碳氢燃料点火燃烧的简化化学反应动力学模型

基于“准稳态”方法建立了一套碳氢燃料点火燃烧的化学反应动力学模型简化方法和相应的软件SPARCK,并从甲烷点火燃烧的GRI2.11详细基元反应动力学模型出发简化得出了包含16个组分12步总包反应形式的简化化学反应动力学模型,从庚烷点火燃烧的详细基元反应动力学模型出发简化得出了包含25个组分21步总包反应形式的简化化学反应动力学模型。通过其计算结果与CARM软件导出简化模型的计算结果和典型激波管试验结果的对比可以看出,本文简化得到的简化反应动力学模型能较为有效地再现详细基元反应模型的反应机理,简化模型的计算精度与CARM软件导出简化模型的计算精度相当。与详细基元反应动力学模型相比,简化模型有效地减少了反应组分,在工程计算中有比较好的应用前景。

Development of reduced chemical reaction kinetic model for hydro-carbon fuel combustion with quasi-steady-state approximation method

A method based on quasi-steady state approximation(QSSA) is developed to construct the reduced chemical kinetic model for the ignition and combustion of Hydro-carbon fuel,and a software package named SPARCK(Software PAckage for Reduction of Chemical Kinetics) is established.Firstly,this method and software is applied to reduce the detailed elementary chemical kinetic model GRI2.11 for the combustion of methane,a reduced global reaction kinetic model containing 16 species and 12 global reactions is obtained.Secondly,when this method and software is applied to the detailed elementary chemical kinetic model of heptane combustion,a reduced global reaction kinetic model involving 25 species and 21 global reactions can also be got.After using these reduced kinetic models to numerically simulate the typical fuel ignition process in the shock tube,it can be seen that these reduced models can represent the ignition mechanism of the detailed kinetic models to some extent and their accuracies are close to those reduced models developed by the CARM(Computer Assisted Reduction Method) software which is now prevailing in practice.Noting that the number of species involved in reduced models is much fewer than that in detailed models,the reduced models may have a bright prospect in engineering practices.