Chem. J. Chinese Universities ›› 2021, Vol. 42 ›› Issue (6): 1871.doi: 10.7503/cjcu20200846

• Physical Chemistry • Previous Articles     Next Articles

Combustion Mechanism Construction Based on Minimized Reaction Network: C1⁃Oxygen Combustion

LI Yiwei, SHENTU Jiangtao, WANG Jingbo, LI Xiangyuan()   

  1. Engineering Research Center of Combustion and Cooling for Aerospace Power,Ministry of Education,College of Chemical Engineering,Sichuan University,Chengdu 610065,China
  • Received:2020-12-07 Online:2021-06-10 Published:2021-06-08
  • Contact: LI Xiangyuan E-mail:xyli@scu.edu.cn
  • Supported by:
    the National Natural Science Foundation of China(91741201)

Abstract:

With the development of the combustion mechanism, the reaction networks become more and more detailed, resulting in a larger mechanism size. The too large size of the reaction mechanism will make the combustion numerical simulation difficult in practice. In this work, the minimal reaction network (MRN) method proposed in previous work is used to develop the C1 combustion reaction mechanism with the minimum number of reaction steps and specified number of species. In the C1 combustion process, 14 independent reactions were determined for a system of 17 species, including 8 species and 6 independent reactions of hydrogen combustion. However, some global reactions need to be replaced by other elementary reaction steps owing to the lack of the rate constants. In this way, a 25-step detailed mechanism of C1 combustion(MRN-C1) was constructed. The reliability of MRN-C1 mechanism was verified by ignition delay time and laminar flame speed. When applying the multi-fuel mechanism to a single fuel, e.g. CH4, there exists a few suspended species that have no other consumption path after they are produced. Therefore, mechanism-extracting of MRN-C1 aimed at the single fuel combustion was performed. Such a treatment can further reduce the size of the mechanism for a specified fuel, it saves the cost in large-scale-computation of combustion.

Key words: Combustion reaction mechanism, Chemical equilibrium, Reaction network, Mechanism-extrac-ting

CLC Number: 

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