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Num. Meth. Prog., 2011, Volume 12, Issue 1, Pages 137–145 (Mi vmp178)  

This article is cited in 1 scientific paper (total in 1 paper)

Вычислительные методы и приложения

Application of the global optimization index method to solving inverse problems of chemical kinetics

I. M. Gubaydullina, V. V. Ryabovb, M. V. Tikhonovac

a Institute of Petrochemistry and Catalysis of RAS
b N. I. Lobachevski State University of Nizhni Novgorod
c Bashkir State University, Faculty of Mathematics and Information Technologies

Abstract: The construction of mathematical models and the solution of inverse problems in physical chemistry are related to the minimization of difference between numerical and experimental data, which requires a multiple solution of computationally time-consuming direct problems. In order to study the mechanisms of complex chemical reactions of metal-complex catalysis and to determine their kinetic parameters, it is proposed to use the parallel index method of global optimization. The method uses the dimension reduction based on Peano curves and the information approach supplemented with the building multiple mapping ("rotated evolvement") allowing the efficient usage of hundreds of processors. A mixed local-global strategy and other modifications of the index method are used to accelerate the search procedure.

Keywords: chemical kinetics; inverse problem; carboalumination; global optimization; rotated evolvements; black-box optimization; mixed strategy; parallel algorithms.

Full text: PDF file (442 kB)
UDC: 541.186, 519.876.5

Citation: I. M. Gubaydullin, V. V. Ryabov, M. V. Tikhonova, “Application of the global optimization index method to solving inverse problems of chemical kinetics”, Num. Meth. Prog., 12:1 (2011), 137–145

Citation in format AMSBIB
\Bibitem{GubRyaTik11}
\by I.~M.~Gubaydullin, V.~V.~Ryabov, M.~V.~Tikhonova
\paper Application of the global optimization index method to solving
inverse problems of chemical kinetics
\jour Num. Meth. Prog.
\yr 2011
\vol 12
\issue 1
\pages 137--145
\mathnet{http://mi.mathnet.ru/vmp178}


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    This publication is cited in the following articles:
    1. I. M. Gubaidullin, R. V. Zhalnin, V. F. Masyagin, V. F. Tishkin, A. S. Shurshina, “Primenenie razryvnogo metoda Galerkina dlya resheniya obratnoi zadachi diffuzii lekarstvennykh veschestv iz khitozanovykh plenok”, Zhurnal SVMO, 18:2 (2016), 94–105  mathnet  elib
  • Numerical methods and programming
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