Citation: CHANG Ya-Chao, JIA Ming, FAN Wei-Wei, LI Yao-Peng, LIU Hong, XIE Mao-Zhao. Decoupling Methodology: An Effective Way for the Development of Reduced and Skeletal Mechanisms[J]. Acta Physico-Chimica Sinica, ;2016, 32(9): 2209-2215. doi: 10.3866/PKU.WHXB201605262 shu

Decoupling Methodology: An Effective Way for the Development of Reduced and Skeletal Mechanisms

School of Energy and Power Engineering, Dalian University of Technology, Dalian 116024, Liaoning Province, P. R. China

Received Date: 11 April 2016
Revised Date: 25 May 2016

Fund Project: The project was supported by the National Natural Science Foundation of China (51476020) and National Key Basic Research Project of China (973) (2013CB228400).

Reduced and skeletal mechanisms with high fidelity are urgently required for multi-dimensional computational fluid dynamics (CFD) combustion simulations. In this study, a series of reduced mechanisms were obtained by reducing a detailed mechanism of primary reference fuel (PRF) using the directed relation graphaided error propagation and sensitivity analysis (DRGEPSA) method for different reduction targets. By analyzing the structures of the reduced mechanisms, it is found that the mechanism structure significantly changes with the variation of the reduction target. Then, the performance of the reduced mechanism is evaluated based on the uncertainty quantification. It indicates that a small relative error should be used in the mechanism reduction method to avoid distorted predictions from the reduced mechanisms. Finally, the decoupling methodology is proposed to construct the skeletal mechanism of PRF. The results show that both the ignition delay time and the laminar flame speed can be satisfactorily reproduced by the skeletal mechanism with a detailed H₂/CO/C₁ and a skeletal C₄-C_n sub-mechanism.
- Reduced/skeletal mechanism,
- Decoupling methodology,
- Ignition delay,
- Laminar flame speed,
- Primary reference fuel
1. [1]
2. [2]
3. [3]
4. [4]
5. [5]
6. [6]
7. [7]
8. [8]
9. [9]
10. [10]
11. [11]
12. [12]
13. [13]
14. [14]
15. [15]
16. [16]
17. [17]
18. [18]
19. [19]
20. [20]
21. [21]
22. [22]
23. [23]
24. [24]
25. [25]
26. [26]
27. [27]
28. [28]
29. [29]
30. [30]
31. [31]
32. [32]
33. [33]
34. [34]
35. [35]
36. [36]
37. [37]
38. [38]
39. [39]
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