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基于特征值分析的正癸烷骨架和总包简化机理

     

摘要

使用基于特征值分析的骨架简化方法对由118个组分和527个反应构成的正癸烷详细机理进行了简化,获得了一个由70个组分、327个基元反应组成的骨架机理;采用基于特征值分析的计算奇异摄动(CSP)简化方法对骨架机理进行进一步简化,得到一个38组分、34步的总包简化机理。通过对简化机理、骨架机理和详细机理的对比发现,简化机理和骨架机理能够很好地再现详细机理的特性,并能够描述正癸烷的主要燃烧特性,为进一步实现耦合化学反应动力学与流体力学的工程计算,提高计算效率提供了可用的燃烧模型。%Based on the eigenvalue analysis reduction method, a detailed mechanism of n-decane with 118 species and 527 reactions was simplified. A skeletal mechanism with 70 species and 327 reactions was thus obtained. The computational singular perturbation (CSP) reduction method, which is based on eigenvalue analysis, was subsequently used to simplify the skeletal mechanism, and a reduced mechanism with 38 species and 34 reaction steps was developed. Comparison between the reduced mechanism, skeletal mechanism, and detailed mechanism showed that the reduced and skeletal mechanisms could reproduce the characteristics of the detailed mechanism and give the combustion characteristics of n-decane. The development of these models represents a significant step toward coupling of chemical reaction kinetics with computational fluid dynamics, and is a good basis for improving computational efficiency.

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