Modeling Combustion Reactions in a Diffusion Flame: Comparison between the Detailed-chemistry and Equilibrium Models

KUWANA Kazunori

doi:10.2116/bunsekikagaku.62.115

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拡散燃焼における化学平衡モデルと詳細化学反応モデルの比較検討
アナリティカルレポートカクサンネンショウニオケルカガクヘイコウモデルトショウサイカガクハンノウモデルノヒカクケントウ

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This paper discusses the validity of the mixture-fraction model with the assumption of chemical equilibrium, which is widely used to simulate a diffusion flame. Two equilibrium models were tested: (1) a single-step equilibrium model that considers only the fuel, oxygen, nitrogen, carbon dioxide, and water vapor; (2) a multi-step equilibrium model that considers 53 intermediate species. These equilibrium models were compared with the results of a detailed-chemistry model that considers the rates of 325 elementary reactions. The detailed-chemistry model was applied to one-dimensional counterflow diffusion flames. Temperature and mass fractions computed by the detailed-chemistry model were generally between the values given by the two equilibrium models. Depending on the condition and the range of mixture fraction, either a single-step equilibrium model or a multi-step equilibrium model better approximated the detailed-chemistry model. When the flame temperature was increased by using pure oxygen as the oxidizer, the multi-step equilibrium model tended to be more accurate than the single-step equilibrium model.

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BUNSEKI KAGAKU

BUNSEKI KAGAKU 62 (2), 115-120, 2013

The Japan Society for Analytical Chemistry

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