Global Combustion Mechanisms for Use in CFD Modeling under Oxy-Fuel Conditions

Jimmy Andersen, Christian Lund Rasmussen, Trine Giselsson, Peter Glarborg

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

Two global multistep schemes, the two-step mechanism of Westbrook and Dryer (WD) and the four-step mechanism of Jones and Lindstedt (JL), have been refined for oxy-fuel conditions. Reference calculations were conducted with a detailed chemical kinetic mechanism, validated for oxy-fuel combustion conditions. In the modification approach, the initiating reactions involving hydrocarbon and oxygen were retained, while modifying the H-2-CO-CO2 reactions in order to improve prediction of major species concentrations. The main attention has been to capture the trend and level of CO predicted by the detailed mechanism as well as the correct equilibrium concentration. A CFD analysis of a propane oxy-fuel flame has been performed using both the original and modified mechanisms. Compared to the original schemes, the modified WD mechanism improved the prediction of the temperature field and of CO in the post flame zone, while the modified JL mechanism provided a slightly better prediction of CO in the flame zone.
Original languageEnglish
JournalEnergy & Fuels
Volume23
Issue number3
Pages (from-to)1379-1389
ISSN0887-0624
DOIs
Publication statusPublished - 2009

Cite this

Andersen, Jimmy ; Rasmussen, Christian Lund ; Giselsson, Trine ; Glarborg, Peter. / Global Combustion Mechanisms for Use in CFD Modeling under Oxy-Fuel Conditions. In: Energy & Fuels. 2009 ; Vol. 23, No. 3. pp. 1379-1389.
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abstract = "Two global multistep schemes, the two-step mechanism of Westbrook and Dryer (WD) and the four-step mechanism of Jones and Lindstedt (JL), have been refined for oxy-fuel conditions. Reference calculations were conducted with a detailed chemical kinetic mechanism, validated for oxy-fuel combustion conditions. In the modification approach, the initiating reactions involving hydrocarbon and oxygen were retained, while modifying the H-2-CO-CO2 reactions in order to improve prediction of major species concentrations. The main attention has been to capture the trend and level of CO predicted by the detailed mechanism as well as the correct equilibrium concentration. A CFD analysis of a propane oxy-fuel flame has been performed using both the original and modified mechanisms. Compared to the original schemes, the modified WD mechanism improved the prediction of the temperature field and of CO in the post flame zone, while the modified JL mechanism provided a slightly better prediction of CO in the flame zone.",
author = "Jimmy Andersen and Rasmussen, {Christian Lund} and Trine Giselsson and Peter Glarborg",
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Global Combustion Mechanisms for Use in CFD Modeling under Oxy-Fuel Conditions. / Andersen, Jimmy; Rasmussen, Christian Lund; Giselsson, Trine; Glarborg, Peter.

In: Energy & Fuels, Vol. 23, No. 3, 2009, p. 1379-1389.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Global Combustion Mechanisms for Use in CFD Modeling under Oxy-Fuel Conditions

AU - Andersen, Jimmy

AU - Rasmussen, Christian Lund

AU - Giselsson, Trine

AU - Glarborg, Peter

PY - 2009

Y1 - 2009

N2 - Two global multistep schemes, the two-step mechanism of Westbrook and Dryer (WD) and the four-step mechanism of Jones and Lindstedt (JL), have been refined for oxy-fuel conditions. Reference calculations were conducted with a detailed chemical kinetic mechanism, validated for oxy-fuel combustion conditions. In the modification approach, the initiating reactions involving hydrocarbon and oxygen were retained, while modifying the H-2-CO-CO2 reactions in order to improve prediction of major species concentrations. The main attention has been to capture the trend and level of CO predicted by the detailed mechanism as well as the correct equilibrium concentration. A CFD analysis of a propane oxy-fuel flame has been performed using both the original and modified mechanisms. Compared to the original schemes, the modified WD mechanism improved the prediction of the temperature field and of CO in the post flame zone, while the modified JL mechanism provided a slightly better prediction of CO in the flame zone.

AB - Two global multistep schemes, the two-step mechanism of Westbrook and Dryer (WD) and the four-step mechanism of Jones and Lindstedt (JL), have been refined for oxy-fuel conditions. Reference calculations were conducted with a detailed chemical kinetic mechanism, validated for oxy-fuel combustion conditions. In the modification approach, the initiating reactions involving hydrocarbon and oxygen were retained, while modifying the H-2-CO-CO2 reactions in order to improve prediction of major species concentrations. The main attention has been to capture the trend and level of CO predicted by the detailed mechanism as well as the correct equilibrium concentration. A CFD analysis of a propane oxy-fuel flame has been performed using both the original and modified mechanisms. Compared to the original schemes, the modified WD mechanism improved the prediction of the temperature field and of CO in the post flame zone, while the modified JL mechanism provided a slightly better prediction of CO in the flame zone.

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