Validation of a kinetic mechanism for the H2/O2/CO system

P. Cadman; H. J. Curran; M. Ó Conaire; J. M. Simmie; Y. Xia

Validation of a kinetic mechanism for the H₂/O₂/CO system

P. Cadman
, H. J. Curran
, M. Ó Conaire
, J. M. Simmie
, Y. Xia

Research output: Contribution to conference (Published) › Paper › peer-review

Abstract

Mueller et al. used a detailed kinetic mechanism to simulate H₂O₂ experiments performed at 1 atm in a flow reactor. The mechanism of Mueller et al. was used to simulate H₂/O₂ data over a wide range of experimental conditions: 0.05-20 atm, 298-1335 K, and in the equivalence ratio of 0.3:1-6:1. Ignition delay time, flame speed calculations, and species composition data provided for a stringent test of the chemical kinetic mechanism, all of which were simulated in the present study with reasonable agreement. This mechanism was enhanced by the addition of a CO subset and used to simulate CO experimental data over 0.05-10 atm, 298-1750 K, and in the equivalence ratio of 0.04:1-0.6:1. A sensitivity analysis was carried out to determine the important reactions that were controlling the/CO sub-mechanism. Original is an abstract.

Original language	English
Pages	256
Number of pages	1
Publication status	Published - 2002
Event	29th International Symposium on Combustion - Sapporo, Japan Duration: 21 Jul 2002 → 26 Jul 2002

Conference

Conference	29th International Symposium on Combustion
Country/Territory	Japan
City	Sapporo
Period	21/07/02 → 26/07/02

Cite this

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title = "Validation of a kinetic mechanism for the H2/O2/CO system",

abstract = "Mueller et al. used a detailed kinetic mechanism to simulate H2O2 experiments performed at 1 atm in a flow reactor. The mechanism of Mueller et al. was used to simulate H2/O2 data over a wide range of experimental conditions: 0.05-20 atm, 298-1335 K, and in the equivalence ratio of 0.3:1-6:1. Ignition delay time, flame speed calculations, and species composition data provided for a stringent test of the chemical kinetic mechanism, all of which were simulated in the present study with reasonable agreement. This mechanism was enhanced by the addition of a CO subset and used to simulate CO experimental data over 0.05-10 atm, 298-1750 K, and in the equivalence ratio of 0.04:1-0.6:1. A sensitivity analysis was carried out to determine the important reactions that were controlling the/CO sub-mechanism. Original is an abstract.",

author = "P. Cadman and Curran, \{H. J.\} and \{{\'O} Conaire\}, M. and Simmie, \{J. M.\} and Y. Xia",

year = "2002",

language = "English",

pages = "256",

note = "29th International Symposium on Combustion ; Conference date: 21-07-2002 Through 26-07-2002",

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TY - CONF

T1 - Validation of a kinetic mechanism for the H2/O2/CO system

AU - Cadman, P.

AU - Curran, H. J.

AU - Ó Conaire, M.

AU - Simmie, J. M.

AU - Xia, Y.

PY - 2002

Y1 - 2002

N2 - Mueller et al. used a detailed kinetic mechanism to simulate H2O2 experiments performed at 1 atm in a flow reactor. The mechanism of Mueller et al. was used to simulate H2/O2 data over a wide range of experimental conditions: 0.05-20 atm, 298-1335 K, and in the equivalence ratio of 0.3:1-6:1. Ignition delay time, flame speed calculations, and species composition data provided for a stringent test of the chemical kinetic mechanism, all of which were simulated in the present study with reasonable agreement. This mechanism was enhanced by the addition of a CO subset and used to simulate CO experimental data over 0.05-10 atm, 298-1750 K, and in the equivalence ratio of 0.04:1-0.6:1. A sensitivity analysis was carried out to determine the important reactions that were controlling the/CO sub-mechanism. Original is an abstract.

AB - Mueller et al. used a detailed kinetic mechanism to simulate H2O2 experiments performed at 1 atm in a flow reactor. The mechanism of Mueller et al. was used to simulate H2/O2 data over a wide range of experimental conditions: 0.05-20 atm, 298-1335 K, and in the equivalence ratio of 0.3:1-6:1. Ignition delay time, flame speed calculations, and species composition data provided for a stringent test of the chemical kinetic mechanism, all of which were simulated in the present study with reasonable agreement. This mechanism was enhanced by the addition of a CO subset and used to simulate CO experimental data over 0.05-10 atm, 298-1750 K, and in the equivalence ratio of 0.04:1-0.6:1. A sensitivity analysis was carried out to determine the important reactions that were controlling the/CO sub-mechanism. Original is an abstract.

UR - https://www.scopus.com/pages/publications/0036936289

M3 - Paper

AN - SCOPUS:0036936289

SP - 256

T2 - 29th International Symposium on Combustion

Y2 - 21 July 2002 through 26 July 2002

ER -

Validation of a kinetic mechanism for the H₂/O₂/CO system

Abstract

Conference

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