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Title: Kinetics modeling of shock-induced ignition in low-dilution CH{sub 4}/O{sub 2} mixtures at high pressures and intermediate temperatures

Abstract

An analytical study was conducted to supplement recent high-pressure shock tube measurements of CH{sub 4}/O{sub 2} ignition at elevated pressures (40--260 atm), low dilution levels (fuel plus oxidizer {ge}30%), intermediate temperatures (1040--1500 K), and equivalence ratios as high as 6. A 38-species, 190-reaction kinetics model, based on the Gas Research Institute`s GRI-Mech 1.2 mechanism, was developed using additional reactions that are important in methane oxidation at lower temperatures. The detailed-model calculations agree well with the measured ignition delay times and reproduce the accelerated ignition trends seen in the data at higher pressures and lower temperatures. Although the expanded mechanism provides a large improvement relative to the original model over most of the conditions of this study, further improvement is still required at the highest CH{sub 4} concentrations and lowest temperatures. Sensitivity and species flux analyses were used to identify the primary reactions and kinetics pathways for the conditions studied. In general, reactions involving HO{sub 2}, CH{sub 3}O{sub 2}, and H{sub 2}O{sub 2} have increased importance at the conditions of this work relative to previous studies at lower pressures and higher temperatures. This paper represents a first step toward understanding the kinetics of CH{sub 4} ignition and oxidation at the extrememore » conditions of the shock tube experiments.« less

Authors:
; ;  [1]
  1. Stanford Univ., CA (United States)
Publication Date:
OSTI Identifier:
321118
Resource Type:
Journal Article
Journal Name:
Combustion and Flame
Additional Journal Information:
Journal Volume: 117; Journal Issue: 1-2; Other Information: PBD: Apr 1999
Country of Publication:
United States
Language:
English
Subject:
03 NATURAL GAS; METHANE; KINETIC EQUATIONS; IGNITION; COMBUSTION KINETICS; MATHEMATICAL MODELS; OXIDATION

Citation Formats

Petersen, E L, Davidson, D F, and Hanson, R K. Kinetics modeling of shock-induced ignition in low-dilution CH{sub 4}/O{sub 2} mixtures at high pressures and intermediate temperatures. United States: N. p., 1999. Web. doi:10.1016/S0010-2180(98)00111-4.
Petersen, E L, Davidson, D F, & Hanson, R K. Kinetics modeling of shock-induced ignition in low-dilution CH{sub 4}/O{sub 2} mixtures at high pressures and intermediate temperatures. United States. https://doi.org/10.1016/S0010-2180(98)00111-4
Petersen, E L, Davidson, D F, and Hanson, R K. Thu . "Kinetics modeling of shock-induced ignition in low-dilution CH{sub 4}/O{sub 2} mixtures at high pressures and intermediate temperatures". United States. https://doi.org/10.1016/S0010-2180(98)00111-4.
@article{osti_321118,
title = {Kinetics modeling of shock-induced ignition in low-dilution CH{sub 4}/O{sub 2} mixtures at high pressures and intermediate temperatures},
author = {Petersen, E L and Davidson, D F and Hanson, R K},
abstractNote = {An analytical study was conducted to supplement recent high-pressure shock tube measurements of CH{sub 4}/O{sub 2} ignition at elevated pressures (40--260 atm), low dilution levels (fuel plus oxidizer {ge}30%), intermediate temperatures (1040--1500 K), and equivalence ratios as high as 6. A 38-species, 190-reaction kinetics model, based on the Gas Research Institute`s GRI-Mech 1.2 mechanism, was developed using additional reactions that are important in methane oxidation at lower temperatures. The detailed-model calculations agree well with the measured ignition delay times and reproduce the accelerated ignition trends seen in the data at higher pressures and lower temperatures. Although the expanded mechanism provides a large improvement relative to the original model over most of the conditions of this study, further improvement is still required at the highest CH{sub 4} concentrations and lowest temperatures. Sensitivity and species flux analyses were used to identify the primary reactions and kinetics pathways for the conditions studied. In general, reactions involving HO{sub 2}, CH{sub 3}O{sub 2}, and H{sub 2}O{sub 2} have increased importance at the conditions of this work relative to previous studies at lower pressures and higher temperatures. This paper represents a first step toward understanding the kinetics of CH{sub 4} ignition and oxidation at the extreme conditions of the shock tube experiments.},
doi = {10.1016/S0010-2180(98)00111-4},
url = {https://www.osti.gov/biblio/321118}, journal = {Combustion and Flame},
number = 1-2,
volume = 117,
place = {United States},
year = {1999},
month = {4}
}