Citation: ZHONG Bei-Jing, YAO Tong, WEN Fei. Skeletal and Reduced Mechanisms of n-Decane Simplified with Eigenvalue Analysis[J]. Acta Physico-Chimica Sinica, ;2014, 30(2): 210-216. doi: 10.3866/PKU.WHXB201312103 shu

Skeletal and Reduced Mechanisms of n-Decane Simplified with Eigenvalue Analysis

1.
1 School of Aerospace, Tsinghua University, Beijing 100084, P. R. China;
2 Beijing Power Machinery Institute, Beijing 100074, P. R. China

Received Date: 27 September 2013
Available Online: 10 December 2013
Fund Project: 国家自然科学基金(51036004)资助项目 (51036004)

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 od basis for improving computational efficiency.
- n-Decane,
- Eigenvalue analysis,
- Mechanism reduction,
- Skeletal mechanism,
- Reduced mechanism
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沈阳化工大学材料科学与工程学院沈阳 110142