HPC MSU

Publication Abstract

Combustion Simulation of Propane/Air Mixtures Using Rate-Controlled Constrained-Equilibrium

Yu, G., Metghalchi, H., & Askari, O. (2017). Combustion Simulation of Propane/Air Mixtures Using Rate-Controlled Constrained-Equilibrium. 10th U. S. National Combustion Meeting Organized by the Eastern States Section of the Combustion Institute. College Park, MD.

Abstract

The Rate-Controlled Constrained-Equilibrium (RCCE), a model order reduction method, is developed to simulate the combustion of Propane/Air mixture. The RCCE method assumes that the non-equilibrium states of a system can be described by a sequence of constrained-equilibrium states subject to a small numbers of constraints. The developed new RCCE approach is applied to the oxidation of propane in a constant volume, constant internal energy system over a wide range of initial temperatures and pressures. The USC-Mech II (109 species and 781 reactions) is used for Detailed Kinetic Model (DKM) of propane oxidation. The derivation for constraints of propane/air mixture starts from the universal constraint for carbon-fuel oxidation. The universal constraints are the elements (C, H, O), number of moles, free valence, free oxygen, fuel and fuel radicals. The results of RCCE are compared with the results of detailed kinetic model to verify the effectiveness of constraints and the efficiency of RCCE.