Acetaldehyde Oxidation in a JSR and Ignition in Shock Waves: Experimental and Comprehensive Kinetic Modeling

P. Dagaut; M. Reuillon; D. Voisin; M. Cathonnet; M. Mcguinness; J. M. Simmie

doi:10.1080/00102209508907809

Acetaldehyde Oxidation in a JSR and Ignition in Shock Waves: Experimental and Comprehensive Kinetic Modeling

P. Dagaut
, M. Reuillon
, D. Voisin
, M. Cathonnet
, M. Mcguinness
, J. M. Simmie

Cellular & Molecular Medicine

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

54 Citations (Scopus)

Abstract

Acetaldehyde oxidation in a jet-stirred reactor has been investigated at high temperature (~900–1300 K) in the pressure range 1-10atm. Molecular species concentration profiles of O₂, H₂, CO, CO₂, CH₂O, CH₄, C₂H₂, C₂H₄, C₂H₆, C₃H₆and CH₃HCO were obtained by probe sampling and GC analysis. Acetaldehyde ignition in shock waves has been investigated in a wide range of conditions (0.5≤Φ ≤2, 1230–2530 K, 2–5 atm), and ignition delay times have been measured. Acetaldehyde oxidation in these conditions was modeled using a comprehensive kinetic reaction mechanism. The proposed mechanism is able to reproduce experimental data obtained in our high-pressure jet stirred reactor and ignition delays measured in shock tube. The same mechanism has also been validated for the oxidation of CH₄, C₂H₂, C₂H₄, C₂^h6, C₃H₆, C₃H₈, 1-butene, n-butane, mixtures of CH₄with C₂H₆and/or C₃H₈in the same conditions.

Original language	English
Pages (from-to)	301-316
Number of pages	16
Journal	Combustion Science and Technology
Volume	107
Issue number	4-6
DOIs	https://doi.org/10.1080/00102209508907809
Publication status	Published - 1 Jan 1995

Keywords

Compound Index: acetaldehyde
Subject Index: oxidation
ethanal
hydrocarbon
ignition
kinetics
modeling

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10.1080/00102209508907809

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title = "Acetaldehyde Oxidation in a JSR and Ignition in Shock Waves: Experimental and Comprehensive Kinetic Modeling",

abstract = "Acetaldehyde oxidation in a jet-stirred reactor has been investigated at high temperature (\textasciitilde{}900–1300 K) in the pressure range 1-10atm. Molecular species concentration profiles of O2, H2, CO, CO2, CH2O, CH4, C2H2, C2H4, C2H6, C3H6and CH3HCO were obtained by probe sampling and GC analysis. Acetaldehyde ignition in shock waves has been investigated in a wide range of conditions (0.5≤Φ ≤2, 1230–2530 K, 2–5 atm), and ignition delay times have been measured. Acetaldehyde oxidation in these conditions was modeled using a comprehensive kinetic reaction mechanism. The proposed mechanism is able to reproduce experimental data obtained in our high-pressure jet stirred reactor and ignition delays measured in shock tube. The same mechanism has also been validated for the oxidation of CH4, C2H2, C2H4, C2h6, C3H6, C3H8, 1-butene, n-butane, mixtures of CH4with C2H6and/or C3H8in the same conditions.",

keywords = "Compound Index: acetaldehyde, Subject Index: oxidation, ethanal, hydrocarbon, ignition, kinetics, modeling",

author = "P. Dagaut and M. Reuillon and D. Voisin and M. Cathonnet and M. Mcguinness and Simmie, \{J. M.\}",

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T2 - Experimental and Comprehensive Kinetic Modeling

AU - Dagaut, P.

AU - Reuillon, M.

AU - Voisin, D.

AU - Cathonnet, M.

AU - Mcguinness, M.

AU - Simmie, J. M.

PY - 1995/1/1

Y1 - 1995/1/1

N2 - Acetaldehyde oxidation in a jet-stirred reactor has been investigated at high temperature (~900–1300 K) in the pressure range 1-10atm. Molecular species concentration profiles of O2, H2, CO, CO2, CH2O, CH4, C2H2, C2H4, C2H6, C3H6and CH3HCO were obtained by probe sampling and GC analysis. Acetaldehyde ignition in shock waves has been investigated in a wide range of conditions (0.5≤Φ ≤2, 1230–2530 K, 2–5 atm), and ignition delay times have been measured. Acetaldehyde oxidation in these conditions was modeled using a comprehensive kinetic reaction mechanism. The proposed mechanism is able to reproduce experimental data obtained in our high-pressure jet stirred reactor and ignition delays measured in shock tube. The same mechanism has also been validated for the oxidation of CH4, C2H2, C2H4, C2h6, C3H6, C3H8, 1-butene, n-butane, mixtures of CH4with C2H6and/or C3H8in the same conditions.

AB - Acetaldehyde oxidation in a jet-stirred reactor has been investigated at high temperature (~900–1300 K) in the pressure range 1-10atm. Molecular species concentration profiles of O2, H2, CO, CO2, CH2O, CH4, C2H2, C2H4, C2H6, C3H6and CH3HCO were obtained by probe sampling and GC analysis. Acetaldehyde ignition in shock waves has been investigated in a wide range of conditions (0.5≤Φ ≤2, 1230–2530 K, 2–5 atm), and ignition delay times have been measured. Acetaldehyde oxidation in these conditions was modeled using a comprehensive kinetic reaction mechanism. The proposed mechanism is able to reproduce experimental data obtained in our high-pressure jet stirred reactor and ignition delays measured in shock tube. The same mechanism has also been validated for the oxidation of CH4, C2H2, C2H4, C2h6, C3H6, C3H8, 1-butene, n-butane, mixtures of CH4with C2H6and/or C3H8in the same conditions.

KW - Compound Index: acetaldehyde

KW - Subject Index: oxidation

KW - ethanal

KW - hydrocarbon

KW - ignition

KW - kinetics

KW - modeling

UR - https://www.scopus.com/pages/publications/0000608494

U2 - 10.1080/00102209508907809

DO - 10.1080/00102209508907809

M3 - Article

SN - 0010-2202

VL - 107

SP - 301

EP - 316

JO - Combustion Science and Technology

JF - Combustion Science and Technology

IS - 4-6

ER -

Acetaldehyde Oxidation in a JSR and Ignition in Shock Waves: Experimental and Comprehensive Kinetic Modeling

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Keywords

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