Volume 7, no. 2Pages 99 - 110

Searching for Uncertainty Regions of Kinetic Parameters in the Mathematical Models of Chemical Kinetics Based on Interval Arithmetic

V.A. Vaytiev, , S.A. Mustafina
We study the influence of uncertainty in kinetic parameters on the solutions to the direct and inverse problems of chemical kinetics. The kinetic data is submitted in the form of intervals and is treated as an object of interval analysis. We design an algorithm for solving the direct problem by the method of interval sensitivity analysis and an algorithm for solving the inverse problem of calculating the parameter uncertainty region. We ran a computer simulation searching for the interval parameter vector on the example of an industrially significant reaction. We show that the interval solution to the direct problem obtained for the mathematical model of the reaction satisfies a given maximal admissible value of error in the experimentally measured concentrations of the substances involved.
Full text
interval analysis; method of sensitivity analysis; optimal boundary of bilateral solutions; kinetic model; rate constants; direct and inverse kinetic problems; uncertainty intervals of kinetic parameters.
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