Reduced Mechanism for Combustion of Hydrogen and Methane With Nitrogen Chemistry

Azevedo, Pedro; Cabrita, I.; Pinho, Carlos

doi:10.1615/computthermalscien.2014010444

Cited by 1 publication

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“…Many people have used the DRG method, sensitivity analysis, and CSP to find reduced skeletal mechanisms. In 2014, a 46-step mechanism including 34 species was introduced by Azevedo et al Their mechanism was reasonably accurate in predicting the adiabatic temperature, flame front, and adiabatic flame velocity, while the accuracy of nitrogenous species prediction was not entirely satisfying. In 2020, based on the GRI-3.0 mechanism, utilizing the DRG method and sensitivity analysis, a 65-step mechanism with 22 species was introduced to predict NOx emissions in turbulent methane flames .…”

Section: Introductionmentioning

confidence: 99%

Hybrid Algorithm for Development of Reduced Skeletal Kinetic Mechanisms with Specific Species Targeting

Zarch,

Mazaheri,

Khademorezaeian

2024

ACS Omega

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A novel algorithm is introduced to reduce the number of detailed kinetic mechanisms. The algorithm uniquely employs a classification of species and a defined parameter that quantitatively identifies the contribution of each species under a combustion condition of interest with specific species targeting. It also incorporates sensitivity analysis, the directed relation graph (DRG) method, and dynamic refinement. The proposed procedure is applied to the GRI-3.0 mechanism with atmospheric pollutants (CO, CO2, NO, and NO2) targeted in a lean methaneair flame at high pressures. The performance of the reduced mechanism is assessed, and good accuracy with considerable computational cost reduction is achieved. Investigated properties by the perfectly stirred reactor (PSR) model incorporated adiabatic flame temperature and the concentrations of targeted pollutants versus equivalence ratio (0.5−1.2), pressure (1−14 bar), and residence time (0.001−1 s) variations. The maximum prediction errors of temperature and greenhouse gas (GHG) mole fractions' profiles were less than 1%, while NOx versus residence time showed errors of 11.7 and 4%, respectively. Additionally, the flame speed yielded a maximum deviation of less than 2%. The computational cost in a 2D (axisymmetric) simulation revealed a 61% reduction. It is shown that the introduced algorithm is effective and can be applied to large mechanisms aiming for particular species predictions under specified operating conditions with lower computational costs.

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Section: Introductionmentioning

confidence: 99%

Hybrid Algorithm for Development of Reduced Skeletal Kinetic Mechanisms with Specific Species Targeting

Zarch,

Mazaheri,

Khademorezaeian

2024

ACS Omega

View full text Add to dashboard Cite

show abstract

Reduced Mechanism for Combustion of Hydrogen and Methane With Nitrogen Chemistry

Abstract: A reduced chemical kinetic reaction mechanism that could be used in computational fluid dynamics (CFD)

Cited by 1 publication

References 28 publications

Hybrid Algorithm for Development of Reduced Skeletal Kinetic Mechanisms with Specific Species Targeting

Hybrid Algorithm for Development of Reduced Skeletal Kinetic Mechanisms with Specific Species Targeting

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