Parameter identification in the kinetic models of consecutive-parallel reactions

Citation
An. Labutin et al., Parameter identification in the kinetic models of consecutive-parallel reactions, KINET CATAL, 40(2), 1999, pp. 282-286
Citations number
12
Categorie Soggetti
Physical Chemistry/Chemical Physics","Chemical Engineering
Journal title
KINETICS AND CATALYSIS
ISSN journal
00231584 → ACNP
Volume
40
Issue
2
Year of publication
1999
Pages
282 - 286
Database
ISI
SICI code
0023-1584(199903/04)40:2<282:PIITKM>2.0.ZU;2-I
Abstract
The main problems arising when identifying the rate constants of complex co nsecutive-parallel reactions were formulated. The method was proposed to di vide a multidimensional problem of parameter identification in the kinetics of consecutive-parallel reactions into several one-dimensional and two-dim ensional subproblems. For this purpose, the analytical solution to the equa tions of differential selectivities for multistep consecutive-parallel reac tions was derived in the general form. An algorithm for finding the estimat es of relative rate constants of steps was formulated that accounts for the inaccuracy in the concentration measurements. The algorithm performance wa s tested. The effect of inaccuracy in the concentration measurements on the parameter estimates and their dispersions was studied.