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TECHNICAL PAPERS

Development of Constrained Equilibrium Codes and Their Applications in Nonequilibrium Thermodynamics

[+] Author and Article Information
Partha S. Bishnu, Djamel Hamiroune, Mohamad Metghalchi

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

J. Energy Resour. Technol 123(3), 214-220 (Mar 15, 2001) (7 pages) doi:10.1115/1.1385517 History: Received November 14, 1996; Revised March 15, 2001
Copyright © 2001 by ASME
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References

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Frenklach,  M., 1987, “Complex Chemical Reaction Systems: Mathematical Modeling and Simulation,” eds. J. Warnatz, and E. Jager, Springer Ser. Chem. Phys. 47, Berlin, Germany, pp. 2–16.
Frenklach, M., 1991, Numerical Approaches to Combustion Modeling, eds., E. S. Oran, and J. P. Boris, AIAA, Chap. 5.
Hautman,  D., Dryer,  F., Schug,  K., and Glassman,  I., 1981, “A Multiple Step Overall Kinetic Mechanism for the Oxidation of Hydrocarbons,” Combust. Sci. Technol., 25, pp. 219–235.
Peters, N., 1988, “Systematic Reduction of Flame Kinetics Principles and Details,” Prog. Aeraut. Astronaut. Series: Dynamic of Reacting Systems, Part 1, Flames, Vol. 113, AIAA, Washington, DC, pp. 67–86.
Benson,  S. W., 1952, “The Induction Period in Chain Reactions,” J. Chem. Phys., 20, p. 1605.
Bowen,  J. R., Acrivos,  A., and Oppenheim,  A. K., 1963, “Singular Perturbation Refinement to Quasi-Steady State Approximation in Chemical Kinetics,” Chem. Eng. Sci., 18, p. 177.
Lam, S. H., and Goussis, D. A., 1988, “Understanding Complex Chemical Kinetics with Computational Singular Perturbation,” Twenty-Second Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, p. 931.
Goussis, D. A., and Lam, S. H., 1992, “A Study of Homogenous Methanol Oxidation Kinetics Using CSP,” Twenty-Fourth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA.
Rein,  M., 1992, “The Partial-Equilibrium Approximation in Reacting Flows,” Phys. Fluids A, 4, No. 5, Gordon, Sanford.
Maas, U., and Pope, S. B., 1992, “Implementation of Simplified Chemical Kinetics Based on Intrinsic Low-Dimensional Manifold,” Twenty-Fourth Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA, pp. 103–112.
Keck,  J. C., and Gillespie,  D., 1971, Combust. Flame, 17, p. 237.
Law, R., Metghalchi, M., and Keck, J. C., 1988, Twenty-Second Symposium (International) on Combustion, The Combustion Institute, Pittsburgh, PA.
Gordon, and McBride, B. J., 1994, “Computer Program for Calculation of Complex Chemical Equilibrium Compositions and Applications: Analysis,” NASA reference Publication 1311.
Reynolds, W. C., 1986, The Element Potential Method For Chemical Equilibrium Analysis: Implementation in the Interactive Program STANJAN, Mechanical Engineering Department, Stanford University, Stanford, CA.
Keck,  J. C., 1990, “Rate Controlled Constrained-Equilibrium Theory of Chemical Reactions in Complex Systems,” Prog. Energy Combust. Sci., 16, 125–154.

Figures

Grahic Jump Location
Domain of possible states of H2-O2 system (EH=4 and EO=2)
Grahic Jump Location
Temperature as function of time for H2-O2 system
Grahic Jump Location
Major species concentration profiles H2,O2, and H2O
Grahic Jump Location
Concentration profiles for active radicals: O, OH, and H
Grahic Jump Location
Species concentration profiles for HO2 and H2O2

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