Geodesic
Solution of inverse problem of chemical kinetics of synthesis reaction benzylidenebenzylamine
Žurnal Srednevolžskogo matematičeskogo obŝestva, Tome 18 (2016) no. 3, pp. 145-152

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In the paper a new mathematical model of reaction of benzilidenbenzilamine synthesis is constructed. Basing on the model direct and inverse problems of chemical kinetics are solved. Fourth order Rosenbrock method is used for directional solution of direct problem and coordinate-wise descent method is used to solve the inverse problem. The paper presents experimental data such as reagent concentrations versus time for the initial reaction. Kinetic rate constants for individual reaction steps, obtained by chemists experimenters, are presented, too. The results of problems’ solution are listed in tabular form. Structure and objectives of the information and computer analysis system which was used to maintain the calculations are also described.
Keywords: benzylidenebenzylamine, stiff system, kinetic model, Rosenbrock method, direct and inverse problems of chemical kinetics, coordinate-wise descent method, information and computational analysis system. 
@article{SVMO_2016_18_3_a14,
     author = {A. A. Mazitov and A. G. Osipova and I. V. Akhmetov and I. M. Gubaydullin},
     title = {Solution of inverse problem of chemical kinetics of synthesis reaction benzylidenebenzylamine},
     journal = {\v{Z}urnal Srednevol\v{z}skogo matemati\v{c}eskogo ob\^{s}estva},
     pages = {145--152},
     publisher = {mathdoc},
     volume = {18},
     number = {3},
     year = {2016},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/SVMO_2016_18_3_a14/}
}
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A. A. Mazitov; A. G. Osipova; I. V. Akhmetov; I. M. Gubaydullin. Solution of inverse problem of chemical kinetics of synthesis reaction benzylidenebenzylamine. Žurnal Srednevolžskogo matematičeskogo obŝestva, Tome 18 (2016) no. 3, pp. 145-152. http://geodesic.mathdoc.fr/item/SVMO_2016_18_3_a14/