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Reaction Kinetics & Chemical Reaction Models

MOST COMPLEX

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By: Dr. Ivan A. Gargurevich, Ph.D.

 

References

Arakawa, S. T. et al., “ Increase Productivity with Novel Reactor design”, Hydro. Proc., March 1998, p. 93.

Baulch, D. et al., “Evaluated Kinetic Data for Combustion Modeling”, J. Phys. Chem. Ref. Data, Vol 21, No.3, 1992.

Chang, R., “Chemistry”, Chap. 13, MacGraw-Hill, Inc., 1994.

Dean, A. M., and Westmoreland, P. R., “Bimolecular QRRK Analysis of Methyl Radical Reactions”, International Journal of Chemical Kinetics”, 19, 3, pp. 207-228, 1987.

Dean, A. M., Bozzelli, J. W., and Ritter, E. R., “CHEMACT: a Computer Code to estimate Rate Gas Constants for Chemically Activated Reactions”, Comb. Sci. Tech., 80, 1-3, pp. 63-85, 1991.

DeMore, W. B. et al., “Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling”, Evaluation No. 9, JPL Publication 90-1, Jan. 1990.

Dryer, F. L.,  “The Phenomenology of Modeling Combustion Chemistry”, in Fossil Fuel Combustion: A Source Book, pp. 121-213, John Wiley & Sons, New York, 1991.

Gardiner, W. C., “Rates and Mechanisms of Chemical Reactions”, W. A. Benjamin Inc., 1972.

Gargurevich, I. A., “Combustion Models and the Prediction of Policyclicic Aromatic Hydrocarbons (PAH) in Laminar Flames of Simple Hydrocarbons: Methane, Methyll Chloride, and 1,1 Dichloroethane“  , Ph.D. Dissertation, UCLA Chemical Engineering Department, 1997.

Kazakov, A., Wang, H., and Frenklach, M. , J. Phys. Chem., 98, p. 10598, 1994.

Kee, R. J. et al., “ Chemkin-II: A Fortran Chemical Kinetics Package for the Analysis of Gas Phase Chemical Kinetics”, Sandia National Laboratory Report, SAND 89-8009B, UC-706, 1993.

Laidler, K. J., “Chemical Kinetics”, Harper & Row, New York, 1987.

Miller, J. A., and Bowman, C. T., Prog. Energy Combust. Sci., Vol 15, pp.287-338, 1989.

Miller, J. A., and Melius, C. F., Combust. And Flame, 91, pp.21-39, 1992.

Murrell, J. N., and Harget, A. J., “Semi-Empirical Self-Consistent-Field Molecular Orbital Theory of Molecules”, Wiley-Interscience, New York, 1972.

National Institute of Standards (NIST) Reference Database 17, NIST Chemical Kinetics Database 60, 1994.

Pople, J. A., and Beveridge, D. L., “Approximate Molecular Orbital Theory, McGraw Hill, New York, 1970.

Qun, M., and Senkan, S. M., Combust. Sci. Tech., vol. 101, pp. 103-134, 1994.

Seinfield, J. H., Science, 243, p. 745, 1989.

Senkan, S. M., “Detailed Chemical Kinetic Modeling: Chemical Reaction Engineering of the Future”, in Advances in Chemical Engineering, vol. 18, pp. 95-115, Academic Press, 1992.

Senkan ,S. M., “Survey of Rate Constants in the C/H/Cl/O System”, in Combustion Chemistry, 2nd edition, W. C. Gardiner Jr. editor, 1993.

Stewart, P. H., Larson. C. W., and Golden, D., Combust. And Flame, 75, p.25, 1989.

Wang, H., “Detailed Chemical Kinetic Modeling of Soot Particle Formation in Laminar Premixed Hydrocarbon Flames”, Ph.D. Thesis, Pennsylvania State University, August 1992.

Warnatz, J., “Rate Coefficients in the C/H/O System”, in Combustion Chemistry, edited by W. C. Gardiner, Spring-Verlag, New York, 1984.

Westbrook, C. K., and Dryer, F. L., Prog. Energy Combust. Sci., 10, pp. 1-37, 1984.

Westmoreland, P. R., Howard, J. B., and Longwell, J. P., AICHE Journal, 32, p. 1971, 1986.

Worstell, J. H., “Don’t Act Like a Novice About Reaction Engineering”, Chem. Eng. Prog., March 2001, p68.


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