Features in chemical kinetics. II. A self-emerging definition of slow manifolds
Tipo de documentoArtículo
Fecha de publicación2013-06-21
Condiciones de accesoAcceso restringido por política de la editorial
In the preceding paper of this series (Part I, P. Nicolini and D. Frezzato, J. Chem. Phys. 138, 234101(2013)) we have unveiled some ubiquitous features encoded in the systems of polynomial differential equations normally applied in the description of homogeneous and isothermal chemical kinetics (mass-action law). Here we proceed by investigating a deeply related feature: the appearance of so-called slow manifolds (SMs) which are low-dimensional hyper-surfaces in the neighborhood of which the slow evolution of the reacting system occurs after an initial fast transient. Indeed a geometrical definition of SM, devoid of subjectivity, “naturally” follows in terms of a specific subdimensional domain embedded in the peculiar region of the concentrations phase-space that in Part I we termed as “attractiveness region.” Numerical inspections on simple low-dimensional model cases are presented, including the benchmark case of Davis and Skodje [J. Chem. Phys. 111, 859 (1999)] and the preliminary analysis of a simplified model mechanism of hydrogen combustion.
CitaciónNicolini, P.; Frezzato, D. Features in chemical kinetics. II. A self-emerging definition of slow manifolds. "Journal of chemical physics", 21 Juny 2013, vol. 138, núm. 23, p. 1-14.
Versión del editorhttp://jcp.aip.org/resource/1/jcpsa6/v138/i23/p234102_s1
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