Citation: LI Shu-Hao, LI Rui, GUO Jun-Jiang, TAN Ning-Xin, WANG Fan, LI Xiang-Yuan. Skeletal Kinetic Model Generation for the Combustion of C₁-C₂ Fuels[J]. Acta Physico-Chimica Sinica, ;2016, 32(7): 1623-1633. doi: 10.3866/PKU.WHXB201604084 shu

Skeletal Kinetic Model Generation for the Combustion of C₁-C₂ Fuels

1.
School of Aeronautics & Astronautics, Sichuan University, Chengdu 610065, P. R. China;
2.
School of Chemical Engineering, Sichuan University, Chengdu 610065, P. R. China;
3.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, P. R. China

Received Date: 24 February 2016
Revised Date: 7 April 2016

Fund Project: The project was supported by the National Natural Science Foundation of China (91441132).

The AramcoMech 1.3 mechanism, containing 253 species and 1542 reactions for oxidation of hydrocarbon and oxygenated C₁-C₂ fuels, is reduced with six direct relation graph (DRG)-related methods. The final skeletal mechanism with 81 species and 497 reactions is achieved from the intersection of the resulting skeletal mechanisms obtained with these DRG-related methods. The maximum error for the ignition delay times with this 81-species mechanism does not increase significantly compared with that obtained for the other skeletal mechanisms. This shows that the intersection of skeletal mechanisms from various mechanism reduction methods can effectively remove the redundant species. Ignition delay times of two-component mixtures with the skeletal mechanism also agree very well with those of the detailed mechanism. The skeletal mechanism has also been validated against the detailed mechanism using many other combustion characters of the involved fuels in different reactors and flames. Results from the element flux analysis demonstrate that the reaction paths for these fuels with the detailed mechanism can be reproduced accurately with the 81-species skeletal mechanism. All the important reaction paths are thus retained in the 81-species mechanism. All these results show that the skeletal mechanism is able to provide the combustion properties of C₁-C₂ fuels that are in good agreement with those of the detailed mechanism. The 81-species skeletal mechanism can be employed as a reaction base for developing mechanisms of other large hydrocarbon or oxygenated fuels.
- Combustionmechanism,
- Skeletal reduction,
- Direct relationgraphmethod,
- Intersectionmethod
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通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Skeletal Kinetic Model Generation for the Combustion of C1-C2 Fuels

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通讯作者: 陈斌, bchen63@163.com

Skeletal Kinetic Model Generation for the Combustion of C₁-C₂ Fuels