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Research Papers: Fuel Combustion

Constrained-Equilibrium Modeling of Methane Oxidation in Air

[+] Author and Article Information
Ghassan Nicolas, Hameed Metghalchi

Department of Mechanical
and Industrial Engineering,
Northeastern University,
Boston, MA 02115

Mohammad Janbozorgi

Department of Aerospace
and Mechanical Engineering,
University of Southern California,
Los Angeles, CA 90089

1Present address: Schlumberger Well Production Services, Udhailiyah, KSA.

Contributed by the Advanced Energy Systems Division of ASME for publication in the JOURNAL OF ENERGY RESOURCES TECHNOLOGY. Manuscript received January 8, 2014; final manuscript received May 7, 2014; published online May 29, 2014. Assoc. Editor: Mansour Zenouzi.

J. Energy Resour. Technol 136(3), 032205 (May 29, 2014) (7 pages) Paper No: JERT-14-1007; doi: 10.1115/1.4027692 History: Received January 08, 2014; Revised May 07, 2014

Rate-controlled constrained-equilibrium method has been further developed to model methane/air combustion. A set of constraints has been identified to predict the nonequilibrium evolution of the combustion process. The set predicts the ignition delay times of the corresponding detailed kinetic model to within 10% of accuracy over a wide range of initial temperatures (900 K–1200 K), initial pressures (1 atm–50 atm) and equivalence ratios (0.6–1.2). It also predicts the experimental shock tube ignition delay times favorably well. Direct integration of the rate equations for the constraint potentials has been employed. Once the values of the potentials are obtained, the concentration of all species can be calculated. The underlying detailed kinetic model involves 352 reactions among 60 H/O/N/C1-2 species, hence 60 rate equations, while the RCCE calculations involve 16 total constraints, thus 16 total rate equations. Nonetheless, the constrained-equilibrium concentrations of all 60 species are calculated at any time step subject to the 16 constraints.

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References

Figures

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Fig. 1

RCCE reaction flow diagram for CH4/air mixtures

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Fig. 9

Comparison between the ignition delay time predictions of RCCE and shock tube experiments at pi = 16 atm [26]

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Fig. 8

Comparison between the ignition delay time predictions of RCCE and shock tube experiments at P = 0.72 atm [25]

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Fig. 7

Comparison of RCCE (dashed lines) and DKM (solid lines) predictions of temperature profiles for different stoichiometric ratios at the initial pressure of 50 atm and the initial temperature of 900 K

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Fig. 6

Comparison of RCCE (dashed lines) and DKM (solid lines) predictions of temperature profiles for different initial temperature at the initial pressure of 50 atm and the stoichiometric ratio of 0.7

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Fig. 5

Comparison of RCCE (dashed lines) and DKM (solid lines) predictions of temperature profiles for different initial pressures at the initial temperature of 900 K and the stoichiometric ratio of 0.7

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Fig. 4

Adding comparison between RCCE (symbols) and DKM (solid lines) predictions of the species concentrations at an Ti = 900 K, pi = 30 atm, and Phi = 1.2

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Fig. 3

Comparison between RCCE (symbols) and DKM (solid lines) predictions of the species concentrations at an Ti = 900 K, pi = 50 atm, and Phi = 0.7

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Fig. 2

The effects of adding constraints one at a time on the accuracy of RCCE predictions

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