Numerical solution of direct chemical kinetics problems on the basis of modern information technologies

V. A. Vshivkov^a, I. G. Chernykh^a, V. N. Snytnikov<sup>b

a</sup> Institute of Computational Mathematics and Mathematical Geophysics of Siberian Branch of Russian Academy of Sciences, Novosibirsk
^b Boreskov Institute of Catalysis SB RAS, Novosibirsk

Abstract: The ChemPAK program package for solving direct chemical kinetics problems with arbitrary number of chemical reactions is considered. The package contains an expandable library of computational modules and provides data transfer to multiprocessor systems. Using the ChemPAK software package, the problem of applicability of kinetic schemes for the C1-C2 hydrocarbon's pyrolysis to modeling the physico-chemical processes in gas-dynamic reactors with emission is solved.

Keywords: direct chemical kinetics problems, databases, single- and multiprocessor computing systems, gas-dynamic reactors.

UDC: 519.688