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2011 | OriginalPaper | Buchkapitel

3. Identification of Kinetic Parameters

verfasst von : Prof. Fabrizio Caccavale, Mario Iamarino, Francesco Pierri, Vincenzo Tufano

Erschienen in: Control and Monitoring of Chemical Batch Reactors

Verlag: Springer London

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Abstract

This chapter provides a general introduction to the identification of mathematical models and to the methods for estimating the relevant adjustable parameters. First, the Bayesian approach is briefly discussed as compared to Popper’s falsificationism. Then, the maximum likelihood and weighted least squares criteria are derived from the concept of conditioned probability. The different optimization techniques for parameter estimation are reviewed, with a particular emphasis on the resolution of implicit nonlinear models, which are encountered in chemical kinetics when analyzing experimental data measured in batch chemical reactors. Finally, a quantitative example, based on the phenol–formaldehyde reaction introduced in Chap. 2, is presented.

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Literatur
1.
Zurück zum Zitat Y.A. Bard. Nonlinear Parameter Estimation. Academic Press, New York, 1974. MATH Y.A. Bard. Nonlinear Parameter Estimation. Academic Press, New York, 1974. MATH
2.
Zurück zum Zitat R.D. Bartusiak, C. Georgakis, and M.J. Reilly. Nonlinear feedforward/feedback control structures designed by reference synthesis. Chemical Engineering Science, 44:1837–1851, 1989. CrossRef R.D. Bartusiak, C. Georgakis, and M.J. Reilly. Nonlinear feedforward/feedback control structures designed by reference synthesis. Chemical Engineering Science, 44:1837–1851, 1989. CrossRef
3.
Zurück zum Zitat T. Bayes. An essay towards solving a problem in the doctrine of chances. Philosophical Transactions of the Royal Society of London, 53:370–418, 1763. CrossRef T. Bayes. An essay towards solving a problem in the doctrine of chances. Philosophical Transactions of the Royal Society of London, 53:370–418, 1763. CrossRef
4.
Zurück zum Zitat B. Bhattacharjee, D.A. Schwer, P.I. Barton, and W.H. Green Jr. Optimally-reduced kinetic models: reaction elimination in large-scale kinetic mechanisms. Combustion and Flame, 135:191–208, 2003. CrossRef B. Bhattacharjee, D.A. Schwer, P.I. Barton, and W.H. Green Jr. Optimally-reduced kinetic models: reaction elimination in large-scale kinetic mechanisms. Combustion and Flame, 135:191–208, 2003. CrossRef
5.
Zurück zum Zitat L.T. Biegler and J.J. Damiano. Nonlinear parameter estimation: a case study comparison. AIChE Journal, 32(1):29–45, 1986. CrossRef L.T. Biegler and J.J. Damiano. Nonlinear parameter estimation: a case study comparison. AIChE Journal, 32(1):29–45, 1986. CrossRef
6.
Zurück zum Zitat P. Bilardello, X. Joulia, J.M. Le Lann, H. Delmas, and B. Koehret. A general strategy for parameter estimation in differential-algebraic systems. Computers and Chemical Engineering, 17(5/6):517–525, 1993. CrossRef P. Bilardello, X. Joulia, J.M. Le Lann, H. Delmas, and B. Koehret. A general strategy for parameter estimation in differential-algebraic systems. Computers and Chemical Engineering, 17(5/6):517–525, 1993. CrossRef
7.
Zurück zum Zitat D. Bonvin. Optimal operation of batch reactors—a personal view. Journal of Process Control, 8(5/6):355–368, 1998. CrossRef D. Bonvin. Optimal operation of batch reactors—a personal view. Journal of Process Control, 8(5/6):355–368, 1998. CrossRef
8.
Zurück zum Zitat A. Cauchy. Méthodes générales pour la résolution des systémes d’équations simultanées. C. R. Acad. Sci. Paris, 25:536–538, 1847. A. Cauchy. Méthodes générales pour la résolution des systémes d’équations simultanées. C. R. Acad. Sci. Paris, 25:536–538, 1847.
9.
Zurück zum Zitat K. Edwards, T.F. Edgar, and V.I. Manousiouthakis. Kinetic model reduction using genetic algorithms. Computers and Chemical Engineering, 22:239–246, 1998. CrossRef K. Edwards, T.F. Edgar, and V.I. Manousiouthakis. Kinetic model reduction using genetic algorithms. Computers and Chemical Engineering, 22:239–246, 1998. CrossRef
10.
Zurück zum Zitat R.A. Fisher. Statistical Methods, Experimental Design and Scientific Inference. Oxford University Press, Oxford, 1990. MATH R.A. Fisher. Statistical Methods, Experimental Design and Scientific Inference. Oxford University Press, Oxford, 1990. MATH
11.
Zurück zum Zitat M.A. Henson and D.E. Seborg. Nonlinear Process Control. Prentice Hall, Upper Saddle River, 1997. M.A. Henson and D.E. Seborg. Nonlinear Process Control. Prentice Hall, Upper Saddle River, 1997.
12.
Zurück zum Zitat D.M. Himmelblau and K. B. Bishoff. Process Analysis and Simulation. Wiley, New York, 1968. MATH D.M. Himmelblau and K. B. Bishoff. Process Analysis and Simulation. Wiley, New York, 1968. MATH
13.
Zurück zum Zitat K. Levenberg. A method for the solution of certain non-linear problems in least squares. The Quarterly of Applied Mathematics, 2:164–168, 1944. MathSciNetMATH K. Levenberg. A method for the solution of certain non-linear problems in least squares. The Quarterly of Applied Mathematics, 2:164–168, 1944. MathSciNetMATH
14.
Zurück zum Zitat L. Ljung. System Identification. Theory for the User. Prentice Hall, Upper Saddle River, 1999. L. Ljung. System Identification. Theory for the User. Prentice Hall, Upper Saddle River, 1999.
15.
Zurück zum Zitat D. Marquardt. An algorithm for least squares estimation of nonlinear parameters. SIAM Journal on Applied Mathematics, 11:431–441, 1963. MathSciNetMATHCrossRef D. Marquardt. An algorithm for least squares estimation of nonlinear parameters. SIAM Journal on Applied Mathematics, 11:431–441, 1963. MathSciNetMATHCrossRef
16.
Zurück zum Zitat W. Marquardt. Nonlinear model reduction for optimization based control of transient chemical processes. AIChE Symposium Series 326, 98:12–42, 2001. W. Marquardt. Nonlinear model reduction for optimization based control of transient chemical processes. AIChE Symposium Series 326, 98:12–42, 2001.
17.
Zurück zum Zitat K. Popper. The Logic of Scientific Discovery. Hutchinson, London, 1959. MATH K. Popper. The Logic of Scientific Discovery. Hutchinson, London, 1959. MATH
18.
Zurück zum Zitat E. Ranzi, M. Dente, A. Goldaniga, G. Bozzano, and T. Faravelli. Lumping procedures in detailed kinetic modeling of gasification, pyrolysis, partial oxidation and combustion of hydrocarbon mixtures. Progress in Energy and Combustion Science, 27:99–139, 2001. CrossRef E. Ranzi, M. Dente, A. Goldaniga, G. Bozzano, and T. Faravelli. Lumping procedures in detailed kinetic modeling of gasification, pyrolysis, partial oxidation and combustion of hydrocarbon mixtures. Progress in Energy and Combustion Science, 27:99–139, 2001. CrossRef
19.
Zurück zum Zitat S.S. Rao. Engineering Optimization: Theory and Practice, 4th Edition. Wiley, Hoboken, 2009. S.S. Rao. Engineering Optimization: Theory and Practice, 4th Edition. Wiley, Hoboken, 2009.
20.
Zurück zum Zitat W. Su and H. Huang. Development and calibration of a reduced chemical kinetic model of n-heptane for HCCI engine combustion. Fuel, 84:1029–1040, 2005. CrossRef W. Su and H. Huang. Development and calibration of a reduced chemical kinetic model of n-heptane for HCCI engine combustion. Fuel, 84:1029–1040, 2005. CrossRef
21.
Zurück zum Zitat F. Tjärnström and L. Ljung. L 2 model reduction and variance reduction. Automatica, 38:1517–1530, 2002. MATHCrossRef F. Tjärnström and L. Ljung. L 2 model reduction and variance reduction. Automatica, 38:1517–1530, 2002. MATHCrossRef
22.
Zurück zum Zitat P.F. Tupper. Adaptive model reduction for chemical kinetics. BIT Numerical Mathematics, 42:447–465, 2002. MathSciNetMATH P.F. Tupper. Adaptive model reduction for chemical kinetics. BIT Numerical Mathematics, 42:447–465, 2002. MathSciNetMATH
Metadaten
Titel
Identification of Kinetic Parameters
verfasst von
Prof. Fabrizio Caccavale
Mario Iamarino
Francesco Pierri
Vincenzo Tufano
Copyright-Jahr
2011
Verlag
Springer London
DOI
https://doi.org/10.1007/978-0-85729-195-0_3

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