TY - CONF
T1 - Approaches to mechanism reduction for hydrocarbon oxidation
T2 - 42nd AIAA Aerospace Sciences Meeting and Exhibit
AU - Lu, Tianfeng
AU - Law, Chung King
N1 - Funding Information:
This work was supported by the Air Force Office of Scientific Research under the technical monitoring of Dr. Julian M. Tishkoff. We thank Ms. Xiaolin Zheng for some of the diffusive ignition calculations needed for the validation of the reduced mechanism.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2004
Y1 - 2004
N2 - A systematic approach for mechanism reduction was developed and demonstrated. The approach consists of the generation of skeletal mechanisms from detailed mechanism using directed relation graph with specified accuracy requirement, and the subsequent generation of reduced mechanisms from the skeletal mechanisms using computational singular perturbation based on the assumption of quasi-steady-state species. Both stages of generation are guided by the performance of PSR for high-temperature chemistry and auto-ignition delay for low- to moderately-high-temperature chemistry. The demonstration was performed for a detailed ethylene oxidation mechanism consisting of 70 species and 463 elementary reactions, resulting in a specific skeletal mechanism consisting of 33 species and 205 elementary reactions, and a specific reduced mechanism consisting of 20 species and 16 global reactions. Calculations for laminar flame speeds and nonpremixed counterflow ignition using either the skeletal mechanism or the reduced mechanism show very close agreement with those obtained by using the detailed mechanism over wide parametric ranges of pressure, temperature and equivalence ratio.
AB - A systematic approach for mechanism reduction was developed and demonstrated. The approach consists of the generation of skeletal mechanisms from detailed mechanism using directed relation graph with specified accuracy requirement, and the subsequent generation of reduced mechanisms from the skeletal mechanisms using computational singular perturbation based on the assumption of quasi-steady-state species. Both stages of generation are guided by the performance of PSR for high-temperature chemistry and auto-ignition delay for low- to moderately-high-temperature chemistry. The demonstration was performed for a detailed ethylene oxidation mechanism consisting of 70 species and 463 elementary reactions, resulting in a specific skeletal mechanism consisting of 33 species and 205 elementary reactions, and a specific reduced mechanism consisting of 20 species and 16 global reactions. Calculations for laminar flame speeds and nonpremixed counterflow ignition using either the skeletal mechanism or the reduced mechanism show very close agreement with those obtained by using the detailed mechanism over wide parametric ranges of pressure, temperature and equivalence ratio.
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U2 - 10.2514/6.2004-1326
DO - 10.2514/6.2004-1326
M3 - Paper
AN - SCOPUS:2942735305
SP - 10693
EP - 10700
Y2 - 5 January 2004 through 8 January 2004
ER -