Citation: YAO Tong, ZHONG Bei-Jing. Small-Scale Chemical Kinetic Mechanism Models for Pyrolysis of n-Decane[J]. Acta Physico-Chimica Sinica, ;2013, 29(07): 1385-1395. doi: 10.3866/PKU.WHXB201304123 shu

Small-Scale Chemical Kinetic Mechanism Models for Pyrolysis of n-Decane

YAO Tong ,
ZHONG Bei-Jing

1.
School of Aerospace, Tsinghua University, Beijing 100084, P. R. China

Received Date: 26 February 2013
Available Online: 12 April 2013
Fund Project: 国家自然科学基金(51036004)资助项目 (51036004)

n-Decane is a component of commonly used fuels, but so far studies into its pyrolysis mechanism are rare and the few existing mechanisms are inconvenient to use owing to their large scales. A small-scale chemical kinetic model (Mech33) for describing the process of n-decane pyrolysis containing 33 species and 75 elementary reactions was constructed. Based on partial equilibrium and quasi-steady state assumptions through sensitivity analysis, a smaller kinetic model (Mech22) containing 22 species and 59 reactions was developed from Mech33. Simulations of n-decane pyrolysis using these two models were compared with experimental data from flow reactor and shock tube over a wide range of temperatures and pressures. The results showed that Mech33 and Mech22 could reproduce the process of n-decane pyrolysis well and accurately predict the concentrations profile of main products, and finally provide valuable chemical kinetic models for engineering simulations when coupled with computational fluid dynamics (CFD).
- n-Decane,
- Pyrolysis,
- Chemical kinetic mechanism model,
- Sensitivity analysis,
- Reduced model
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