A criterion based on computational singular perturbation for the construction of a reduced mechanism for dimethyl ether oxidation

作者：Wu, Zuozhu; Qiao, Xinqi^*; Huang, Zhen

来源：Journal of the Serbian Chemical Society, 2013, 78(8): 1177-1188.

DOI：10.2298/JSC121122023W

• I-CSP
• auto-ignition
• perfectly stirred reaction
• premixed flame
• ignition delay
• combustion

A criterion based on the computational singular perturbation (CSP) method is proposed in order to determine the number of quasi-steady state (QSS) species. This criterion is employed for the reduction of a detailed chemical kinetics mechanism for the oxidation of dimethyl ether (DME), involving 55 species and 290 reactions, leading to a 20-step reduced mechanism that involves 26 species. A software package, named I-CSP, was developed to make the reduction process algorithmic. The input to the I-CSP includes: a) the detailed mechanism, b) the numerical solution of the problem for a specific set of operating conditions and c) the number of quasi steady state (QSS) species. The resulting reduced mechanism was validated both in homogenous reactor, including auto-ignition and a perfectly stirred reaction (PSR), over a wide range of pressures and equivalence ratios, and in a one-dimensional, unstretched, premixed, laminar steady DME/air flame. Comparison of the results calculated with the detailed and the reduced mechanisms shows excellent agreement in the case of a homogenous reactor, but discrepancies could be observed in the case of a premixed laminar flame.

• 出版日期2013
• 单位上海交通大学