Resumo. No presente trabalho considera-se o problema de redução de mecanismos de reações em processos de química ambiental e de combustão. O "método de engajamento" apresentado em trabalhos anteriores é desenvolvido para uma área prescrita de parâmetros do meio reagente. A formação do mecanismo reduzido é realizada pelo acoplamento dos mecanismos reduzidos locais, obtidos para células (reatores) escolhidas na malha. Pesquisas numéricas foram realizadas para o meio reagente "S + H + O + (N)". Foi obtido um grupo de mecanismos reduzidos para a área prescrita por coeficiente do excesso de oxidante (αox), por temperatura (T) e por pressão (P). O mecanismo completo foi reduzido em três vezes com modesta perda na precisão dos resultados.
Novel methodology of the simulation of combustion and flow in propulsion and power generation systems is developed. The basic concept of the methodology and model is division of the working volume into reactors on the ground of equations of motion or semi-empirical models of fluid flow. Each reactor is interpreted as a time-dependent volume with uniform non-stationary parameters. Mass- and heat-transfer between neighbor reactors are simulated. Time variation of chemical composition of working medium is described by equations of chemical kinetics derived in exponential form. Depending on the specific conditions mathematical model of each reactor could include additional “submodels” and corresponding equations of accompanying processes which describe variation of temperature, pressure, mass, enthalpy, etc. Reactor’s approach is realized in invariant computer code NERCHIM. Models of combustion and flow in propulsion systems, developed on the basis of reactor’s approach and NERCHIM software are presented.
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