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Lumping upon time-scales: Modeling upon topological factors

Martinez, E.C. ; Beltramini, L.J.

Chemical engineering science, 1990, Vol.45 (8), p.2103-2108 [Periódico revisado por pares]

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Título:
Lumping upon time-scales: Modeling upon topological factors
Autor: Martinez, E.C. ; Beltramini, L.J.
Assuntos: Applications of mathematics to chemical engineering. Modeling. Simulation. Optimization ; Applied sciences ; Chemical engineering ; Exact sciences and technology ; Lumping ; mechanism structure ; reaction dynamics ; species similarity ; time-scales ; weak boundaries
É parte de: Chemical engineering science, 1990, Vol.45 (8), p.2103-2108
Descrição: Many properties of reaction mechanisms favoring chemical lumping can be easily deduced from certain patterns of their topology. This is particularly the case when lumping is practised upon the time-scales of reaction dynamics. This paper develops an approach to lumping based on the presence of sparse and dense connections between species through elementary reactions. A lumped model of the mechanism is constructed based on the fundamental relationship between the notion of weak boundaries induced by topological factors and the presence of multitime-scales. Weakness of pseudospecies boundaries are analytically expressed by means of a singular perturbation parameter. Lumping upon topological factors are then formalized by the singular perturbation method. According to the actual strength of pseudospecies boundaries the lumped model can be iteratively improved.
Editor: Oxford: Elsevier Ltd
Idioma: Inglês

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