Solving chemical kinetics equations by explicit methods

The paper presents two versions of numerical methods for solving systems of chemical kinetics which are based on quasi-steady state and partial equilibrium approximations. These methods are explicit and guarantee that the solutions are positive and bounded for an arbitrary period of time. In contras...

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Veröffentlicht in:Journal of applied and industrial mathematics 2014-07, Vol.8 (3), p.337-348
Hauptverfasser: Lipanov, A. M., Bolkisev, A. A.
Format: Artikel
Sprache:eng
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Zusammenfassung:The paper presents two versions of numerical methods for solving systems of chemical kinetics which are based on quasi-steady state and partial equilibrium approximations. These methods are explicit and guarantee that the solutions are positive and bounded for an arbitrary period of time. In contrast to the existing methods, they ensure the conservation of mass and the fulfillment of stoichiometric relations, which enables us to increase the timestep considerably while keeping the same accuracy.
ISSN:1990-4789
1990-4797
DOI:10.1134/S1990478914030053