APPLICATION OF INTEGRATED CHEMICAL KINETIC MECHANISM REDUCTION SCHEME ON SMALLSCALE MECHANISM - ETHYLENE

Abstract

This work is an extension to a formerly reported work on development of integrated chemical kinetic mechanism reduction scheme to produce compact mechanisms for computational fluid dynamics (CFD) simulations. Upon successful application on large-scale mechanisms in the previous work, the reduction scheme is employed here to investigate its applicability on small-scale mechanism using a 111-species detailed ethylene model. The final reduced model consists of 27 species with 147 elementary reactions, and it is 75.7% smaller than the detailed model in terms of total number of species. The reduced model is then applied in one-dimensional laminar flame-speed simulations for model validations. The flame temperature profile computed by the detailed model is successfully replicated by the reduced model, with a maximum deviation of 2.8%. Subsequently, the fidelity of the reduced model is further assessed in erodimensional chemical kinetic simulations under a wide range of shock tube and jet stirred reactor (JSR) conditions. The simulation results show that the reduce model is able to reproduce the species concentration profiles and kinetics of the fuel oxidation adequately in view of its simplified fuel chemistry. The maximum relative error between the computations of the detailed and reduced models is recorded at 20%. In addition, the reduced model is also validated against the experimental results of ethylene oxidation in a JSR. Overall, agreement between the predictions and measurements is obtained, with a maximum deviation of 30%. In this present work, the integrated reduction scheme is demonstrated to be applicable to small-scale mechanism reduction while maintaining the corresponding accuracy for a given application. The compact model proposed here is ready to be used in ethylene flame simulations.

Keywords

• Chemical kinetics
• Mechanism reduction
• Ethylene
• Small-scale mechanism