Parameter identification for chemical reaction systems using sparsity enforcing regularization: A case study for the chlorite-iodide reaction

Journal of Physical Chemistry A

Volumn 113, Issue 12, 2009, Pages 2775-2785

  Kügler, Philipp ^a,c   Gaubitzer, Erwin ^b   Müller, Stefan ^c  

^a JOHANNES KEPLER UNIVERSITY LINZ   (Austria)

^b UNIVERSITY OF VIENNA   (Austria)

^c JOHANN RADON INSTITUTE FOR COMPUTATIONAL AND APPLIED MATHEMATICS   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

ADJOINT; AMOUNT OF INFORMATIONS; CHEMICAL REACTION SYSTEMS; CHLORITE-IODIDE REACTIONS; COMPLEX CHEMICAL REACTIONS; COMPUTATIONAL REALIZATIONS; DATA MISMATCHES; EXPERIMENTAL CONDITIONS; EXPERIMENTAL OBSERVATIONS; MODEL PARAMETERS; NON-LINEAR ORDINARY DIFFERENTIAL EQUATIONS; PARAMETER IDENTIFICATION PROBLEMS; PARAMETER IDENTIFICATIONS; REACTION MECHANISMS; REFERENCE PARAMETERS; REGULARIZATION APPROACHES; REGULARIZATION METHODS; SIMULATED MODELS; STABILITY PROPERTIES;

EQUILIBRIUM CONSTANTS; EXCITONS; GRAFTING (CHEMICAL); NONLINEAR EQUATIONS; ORDINARY DIFFERENTIAL EQUATIONS; RATE CONSTANTS; STABILITY; SYNTHESIS (CHEMICAL); UNCERTAINTY ANALYSIS;

IDENTIFICATION (CONTROL SYSTEMS);

EID: 63849253774     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp808792u     Document Type: Article

References (21)

1. Kepper, P. D.; Boissonade, J.; Epstein, I. R. J. Phys. Chem. 1990, 94, 6525-6536.
2. Lengyel, I.; Li, J.; Kustin, K.; Epstein, I. R. J. Am. Chem. Soc. 1996, 118, 3708-3719.
3. Kormányos, B.; Horváth, A. K.; Peintler, G.; Nagypál, I. J. Phys. Chem. A 2007, 111, 8104-8109.
4. Peintler, G. Zita, version 4.1: A Comprehensive Program Package for Fitting Parameters of Chemical Reaction Mechanisms; Attila Jozsef University: Szeged, Hungary, 1997.
5. Bock, H.-G. Randwertproblemmethoden zur Parameteridentifi-zierung in Systemen Nichtlinearer Differentialgleichungen; Bonner Math-ematische Schriften 183; Rheinische Friedrich-Wilhelms-Universität: Bonn, Germany, 1987.
6. Nowak, U.; Deuflhard, P. Appl. Numer. Math. 1985, 1, 59-75.
7. Engl, H. W.; Hanke, M.; Neubauer, A. Regularization of Inverse Problems; Kluwer Academic Publishers: Boston, 1996.
8. Ljung, L. System Identification: Theory for the User; Prentice Hall: Upper Saddle River, NJ, 1999.
9. Burger, M.; Osher, S. Inverse Probl. 2004, 20, 1411-1420.
10. Daubechies, I.; Defrise, M.; Mol, C. D. Commun. Pure Appl. Math. 2004, 57, 1413-1457.
11. Grasmair, M.; Haltmeier, M.; Scherzer, O. Inverse Probl. [Online] 2008, 24, 055020. http://www.iop.org/EJ/abstract/0266-5611/24/5/055020/.
12. Ramlau, R. Electron. Trans. Numer. Anal. 2008, 30, 54-74.
13. Ramlau, R.; Teschke, G. Numer. Math. 2006, 104, 177-203.
14. Griesse, R.; Lorenz, D. A. Inverse Probl. [Online] 2008, 24, 035007. http://www.iop.org/EJ/abstract/0266-5611/24/3/035007/.
15. Schmitz, G. Int. J. Chem. Kinet. 2004, 36, 480-493.
16. Dateo, C. E.; Orban, M.; Kepper, P. D.; Epstein, I. R. J. Am. Chem. Soc. 1982, 104, 504-509.
17. q Penalty Term; Technical Report 74, FSP 092: Joint Research Program of Industrial Geometry; University of Innsbruck: Innsbruck, Austria, August 2008.
18. Zarzer, C. Inverse Probl. Submitted for publication, 2008.
19. Donoho, D. L. Commun. Pure Appl. Math. 2006, 59, 797-829.
20. Kaipio, J.; Somersalo, E. Statistical and Computational Inverse Problems; Springer: New York, 2004.
21. Lengyel, I.; Li, J.; Epstein, I. R. J. Phys. Chem. 1992, 96, 7032-7037.