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Research Papers: Fuel Combustion

Reduced Chemical Kinetic Mechanisms for Oxy/Methane Supercritical CO2 Combustor Simulations

[+] Author and Article Information
K. R. V. Manikantachari

Center for Advanced Turbomachinery and
Energy Research,
University of Central Florida,
Orlando, FL 32816
e-mail: raghuvmkc@knights.ucf.edu

Ladislav Vesely

Faculty of Mechanical Engineering,
Department of Energy Engineering,
Czech Technical University in Prague,
Prague 166 36, Czech Republic;
Center for Advanced Turbomachinery and
Energy Research,
University of Central Florida,
Orlando, FL 32816

Scott Martin

Eagle Flight Research Center,
Embry-Riddle Aeronautical University,
Daytona Beach, FL 32114

Jose O. Bobren-Diaz

Center for Advanced Turbomachinery and Energy
Research,
University of Central Florida,
Orlando, FL 32816

Subith Vasu

Center for Advanced Turbomachinery and
Energy Research,
University of Central Florida,
Orlando, FL 32816

Contributed by the Advanced Energy Systems Division of ASME for publication in the JOURNAL OF ENERGY RESOURCES TECHNOLOGY. Manuscript received March 11, 2018; final manuscript received March 15, 2018; published online April 26, 2018. Editor: Hameed Metghalchi.

J. Energy Resour. Technol 140(9), 092202 (Apr 26, 2018) (10 pages) Paper No: JERT-18-1194; doi: 10.1115/1.4039746 History: Received March 11, 2018; Revised March 15, 2018

Reduced mechanisms are needed for use with computational fluid dynamic codes (CFD) utilized in the design of combustors. Typically, reduced mechanisms are created from a detailed mechanism, which contain numerous species and reactions that are computationally difficult to handle using most CFD codes. Recently, it has been shown that the detailed aramco 2.0 mechanism well predicted the available experimental data at high pressures and in highly CO2 diluted methane mixtures. Here, a 23-species gas-phase mechanism is derived from the detailed aramco 2.0 mechanism by path-flux-analysis method (PFA) by using CHEM-RC. It is identified that the reaction CH4 + HO2 ⇔ CH3 + H2O2 is very crucial in predicting the ignition delay times (IDTs) under current conditions. Further, it is inferred that species C2H3 and CH3OH are very important in predicting IDTs of lean sCO2 methane mixtures. Also, the 23-species mechanism presented in this work is able to perform on par with the detailed aramco 2.0 mechanism in terms of simulating IDTs, perfectly stirred-reactor (PSR) estimates under various CO2 dilutions and equivalence ratios, and prediction of turbulence chemistry interactions. It is observed that the choice of equation of state has no significant impact on the IDTs of supercritical CH4/O2/CO2 mixtures but it influences supercritical H2/O2/CO2 mixtures considered in this work.

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Figures

Grahic Jump Location
Fig. 1

Comparison of sCO2 shock tube IDTs [20] with the aramco 2.0 and gri 3.0 by various EOSs

Grahic Jump Location
Fig. 2

Comparison of IDTs (stoichiometric mixture) of the detailed aramco 2.0 and reduced species mechanisms

Grahic Jump Location
Fig. 3

The absolute rate of production of CH4 and sensitivity of CH4 and H2O2 at Tinl = 1100 K, Pinl = 285.5 atm and 50% consumption

Grahic Jump Location
Fig. 4

Production of OH and H2O2 during stoichiometric constant volume combustion for mixture-2 at Tinl = 1100 K, Pinl = 285.5 atm

Grahic Jump Location
Fig. 5

Comparison of lean mixture IDTs of the detailed aramco 2.0 and reduced species mechanisms

Grahic Jump Location
Fig. 6

Comparison of stoichiometric H2 mixture IDTs of the detailed aramco 2.0 and reduced species mechanisms

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Fig. 7

Comparison of the exit temperature of a perfectly-stirred-reactor simulated by Aramco 2.0 and 23-species mechanisms at stoichiometric CH4/O2 mixture for various CO2 dilution levels

Grahic Jump Location
Fig. 8

Comparison of the exit temperature of a perfectly-stirred-reactor simulated by Aramco 2.0 and 23-species mechanisms for various equivalence ratios of CH4/O2 at 90% of CO2 dilution (residence time = 1ms)

Grahic Jump Location
Fig. 9

Comparison of detailed and reduced (23-species) aramco 2.0 mechanisms at various turbulent dissipation values

Grahic Jump Location
Fig. 10

The comparison source term (Sc) estimated by detailed and reduced (23-species) aramco 2.0 mechanisms at various turbulent dissipation values

Grahic Jump Location
Fig. 11

Comparison of the aramco 2.0 and 23-species mechanism in terms of IDTs estimation in a constant volume combustion chamber

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