Modified integral procedure (MIP) as a reliable short-cut method for kinetic model estimation: Isothermal, non-isothermal and (semi-)batch process cases

Computers and Chemical Engineering

Volumn 21, Issue 10, 1997, Pages 1169-1190

  Maria, Gheorghe ^a,b   Rippin, David W T ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY POLITEHNICA OF BUCHAREST   (Romania)

Author keywords

Batch processes; Isothermal and non isothermal data; Kinetic model identification; Short cut numerical estimator

Indexed keywords

ALGEBRA; DATA STRUCTURES; EXPERT SYSTEMS; IDENTIFICATION (CONTROL SYSTEMS); ITERATIVE METHODS; MATHEMATICAL MODELS; PARAMETER ESTIMATION; SENSITIVITY ANALYSIS;

BATCH PROCESS; ISOTHERMAL PROCESS; MODIFIED INTEGRAL PROCEDURE (MIP); NONISOTHERMAL PROCESS;

REACTION KINETICS;

EID: 0031190672     PISSN: 00981354     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0098-1354(96)00328-6     Document Type: Article

References (47)

1. Bates, D. M. and Watts, D. G. (1988) Nonlinear Regression Analysis and Its Applications. Wiley, New York.
2. Bluman, G. W. and Cole, J. D. (1974) Similarity Methods for Differential Equations. Springer, Berlin.
3. Bonvin, D. and Rippin, D. W. T. (1990) Target factor analysis for the identification of stoichiometric models. Chemical Engineering Science 45, 3417-3426.
4. Edwards, K., Edgar, T. F. and Manousiouthakis, V. I. (1997) Kinetic model reduction using genetic algorithms. Computers and Chemical Engineering (in press).
5. Froment, G. F. and Hosten, L. H. (1981) Catalytic kinetics: modelling. In Catalysis: Science and Technology, eds L. Anderson and M. Boudart, pp. 97-170. Springer, Berlin.
6. Glowinsky, J. and Stocki, J. (1981) Estimation of kinetic parameters - initial guess generation method. A.I.Ch.E.J. 27, 1041-1048.
7. Himmelblau, D. M. and Edgar, T. F. (1989) Optimization of Chemical Processes. McGraw-Hill, New York.
8. Hoffman, T. W. and Reilly, P. M. (1979) Transferring information from one experiment to another. Canadian Journal of Chemical Engineering 57, 367-374.
9. Hosten, L. H. (1979) A comparative study of short cut procedures for parameter estimation in differential equations. Computers and Chemical Engineering 3, 117-126.
10. Jang, S. S., Joseph, B. and Mukai, H. (1986) Comparison of two approaches to on-line parameter and state estimation of nonlinear systems. Industrial Engineering and Chemical Process Design 25, 809-814.
11. Kalogerakis, N. and Luus, R. (1983) Simplification of quasilinearization method for parameter estimation. A.I.Ch.E.J. 29, 858-864.
12. Levenspiel, O. (1972) Chemical Reaction Engineering, p.55. Wiley, New York.
13. Li, G. and Rabitz, H. (1991) A General analysis of lumping in chemical kinetics. In Kinetic and Thermodynamic Lumping of Multicomponent Mixtures, G. Astarita and S. I. Sandler, eds, pp.49-62. Elsevier, Amsterdam.
14. Maria, G. and Muntean, O. (1987) Model reduction and kinetic parameters identification for the methanol conversion to olefins. Chemical Engineering Science 42, 1451-1460.
15. Maria, G. ( 1989) An adaptive strategy for solving kinetic model concomitant estimation-reduction problems. Canadian Journal Chemical Engineering 67, 825-832.
16. Maria, G. and Ognean, T. (1989) An adaptive parameter estimation used to obtain reduced kinetic models for the biological treatment process. Water Research 23, 175-181.
17. Maria, G. (1991) A numerical method of transferring of information used for rapid identification of the allowable nonlinear chemical kinetic model. Proceedings of the International AMSE Conference (Warsaw, Poland) 5, 165-179.
18. Maria, G. (1992) Model adequacy, lack-of-fit and parameter estimate quality tests. SEG Research Report, ETH, Zurich, Switzerland.
19. Maria, G. (1993) Expert system for ODE chemical kinetic model identification by using a transfer of information numerical strategy. Computers and Chemical Engineering 17, S435-S440.
20. Maria, G. and Rippin, D. W. T. (1993) Note concerning two techniques for complex kinetic pathway analysis. Chemical Engineering Science 48, 3855-3864.
21. Maria, G., Terwiesch, P. and Rippin, D. W. T. (1996) Reliable on-line kinetics identification for a semi-batch process by parallel use of short-cut transferof-information rule and recursive estimators. Chemical Engineering Communications 143, 133-147.
22. Maria, G. and Rippin, D. W. T. (1995) Modified integral procedure (MIP) as a reliable short-cut method in mechanistic based ODE kinetic model estimation: non-isothermal and (semi-) batch process cases, Plenary Lecture at ESCAPE 5-European Symposium on Computer Aided Process Engineering, June 1995, Bled, Slovenia. Computers and Chemical Engineering 19, S709-S714.
23. Maria, G. (1995) Interactive direct estimation technique used for chemical kinetics modelling and simulation. In Proceedings of the 7th European Simulation Symposium, Erlangen, Germany, 26-28 Oct., pp. 287-291
24. Maria, G. and Rippin, D. W. T. (1996) Recursive robust kinetics estimation by using a mechanistic short-cut technique and a pattern-recognition procedure, ESCAPE 6 - European Symposium on Computer Aided Process Engineering, Rhodes, Greece. Computers and Chemical Engineering 20, S587-S592.
25. McCroskey, P. S. (1988) A knowledge-based approach for the development of complex kinetic mechanisms. Ph.D. dissertation, Carnegie Mellon University, Pittsburgh.
26. McLean, D. D., Bacon, D. W. and Downie, J. (1980) Statistical identification of a reaction network using an integral plug flow reactor. Canadian Journal of Chemical Engineering 58, 608-619.
27. Mihail, R. and Maria, G. (1986) A Modified Matyas Algorithm (MMA) for random process optimization. Computers and Chemical Engineering 10, 539-544.
28. Pop, G., Ivanescu, D., Maria, G., Straja, S. and Muntean, O. (1987) Ethanol conversion to hydrocarbons. Revista de Chimie (Bucharest) 38, 661-665.
29. Pop, G., Boeru, R., Muntean, O. and Maria, G. (1991) SAPO-34 catalyst selectivity for the MTO process, pp. 443-451; Selective alkylation of iso-butenes with methanol to produce iso-C5 olefins, pp. 453-462. In Novel Methods of Producing Ethylene, Other Olefins and Aromatics, L. Albright, ed. Marcel Dekker Inc., Boston, MS.
30. Ramvall, M., Maria, G. and Rippin, D. W. T. (1994) Combinatorial use of short-cut, indirect, recursive estimators for the on-line kinetics identification in biological treatment process simulation. In Proceedings of the CISS Conference of the Internernational Simulation Society, pp. 548-552, 22-25 Aug., Zurich, Switzerland.
31. Ratkowsky, D. A. (1985) A statistically suitable general formulation for modelling catalytic chemical reactions. Chemical Engineering Science 40, 1623-1628.
32. Reilly, P. M. and Blau, G. E. (1974) The use of statistical methods to build mathematical models of chemical reacting systems. Canadian Journal of Chemical Engineering 52, 289-299.
33. Reklaitis, G. V., Ravindran, A. and Ragsdell, K. M. (1983) Engineering Optimization: Methods and Applications. Wiley, New York.
34. Ruppen, D. and Bonvin, D. (1992) On-line estimation and optimization of an experimental semi-batch reaction system. Paper presented at the A.I.Ch.E. Annual Meeting, Miami, FL.
35. Safi, B. F., Rouleau, D., Mayer, R. C. and Desrochers, M. (1986) Fermentation kinetics of spent sulfite liquor by Saccharomyces Cerevisiae. Biotechnology and Bioengineering 28, 944-951.
36. Schuster, S. and Schuster, R. (1991) Detecting strictly detailed balanced subnetworks in open chemical reaction networks. Journal of Mathematical Chemistry 6, 17-40.
37. Senkan, S. M. (1992) Detailed chemical kinetic modeling: chemical reaction engineering of the future. Advances in Chemical Engineering 18, 95-196.
38. Szabo, Z. G. (1969) Kinetic characterization of complex reactions systems. In Chemical Kinetics, eds C. H. Bamford and C. F. H. Tipper, Vol. 2. Elsevier, Amsterdam.
39. Tabata, T. and Ito, R. (1975) Effective treatment of the interpolation factor in Marquardt's nonlinear least-squares fit algorithm. Computer Journal 18, 250-251.
40. Tomlin, A. S., Turanyi, T. and Pilling, M. J. (1995) Mathematical tools for the construction, investigation and reduction of combustion mechanisms. In Oxidation Kinetics and Autoignition of Hydrocarbons, ed. M. J. Pilling. Elsevier, Amsterdam.
41. Tsakiris, C., Maria, G., Pop, G., Ignatescu, G., Manoliu, D., Boeru, R., Bozga, G. and Muntean, O. (1992) A dynamic model for the methanol conversion in a fluidized-bed reactor. In Proceedings of DYCORD'92-IFAC Symposium (Maryland), pp. 255-258.
42. Tsang, W. (1992) Chemical kinetic data base for hydrocarbon pyrolysis. Industrial Engineering and Chemical Research 31, 3-8.
43. Vajda, S., Valko, P. and Turanyi, T. (1985) Principal component analysis of kinetic models. International Journal of Chemical Kinetics 17, 55-81.
44. Vajda, S., Valko, P. and Yermakova, A. (1986) A direct-indirect procedure for estimation of kinetic parameters. Computers and Chemical Engineering 10, 49-58.
45. Valdes-Perez, R. E. (1991) Machine discovery of chemical reaction pathways, Ph.D. thesis, Carnegie Mellon University, Pittsburgh.
46. de Valliere, P. and Bonvin, D. (1990) Application of estimation techniques to batch reactors. Computers and Chemical Engineering 14, 799-808.
47. Wandrey, C., Flaschel, E. and Schügerl, K. (1979) Problems in extrapolation of enzymatic kinetic measurements to reactor design using hog kidney acylase as an example. Biotechnology and Bioengineering 21, 1649-1670.