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Author Ceccato, Alessandro ♦ Frezzato, Diego ♦ Nicolini, Paolo
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY ♦ ABUNDANCE ♦ CHEMICAL REACTION KINETICS ♦ CHEMICAL REACTIONS ♦ CONCENTRATION RATIO ♦ COORDINATES ♦ EQUILIBRIUM ♦ EVOLUTION ♦ MASS ♦ NONLINEAR PROBLEMS ♦ SPACE ♦ SPHERICAL CONFIGURATION ♦ TWO-DIMENSIONAL SYSTEMS
Abstract In this work, we deal with general reactive systems involving N species and M elementary reactions under applicability of the mass-action law. Starting from the dynamic variables introduced in two previous works [P. Nicolini and D. Frezzato, J. Chem. Phys. 138(23), 234101 (2013); 138(23), 234102 (2013)], we turn to a new representation in which the system state is specified in a (N × M){sup 2}-dimensional space by a point whose coordinates have physical dimension of inverse-of-time. By adopting hyper-spherical coordinates (a set of dimensionless “angular” variables and a single “radial” one with physical dimension of inverse-of-time) and by examining the properties of their evolution law both formally and numerically on model kinetic schemes, we show that the system evolves towards the equilibrium as being attracted by a sequence of fixed subspaces (one at a time) each associated with a compact domain of the concentration space. Thus, we point out that also for general non-linear kinetics there exist fixed “objects” on the global scale, although they are conceived in such an abstract and extended space. Moreover, we propose a link between the persistence of the belonging of a trajectory to such subspaces and the closeness to the slow manifold which would be perceived by looking at the bundling of the trajectories in the concentration space.
ISSN 00219606
Educational Use Research
Learning Resource Type Article
Publisher Date 2015-12-14
Publisher Place United States
Journal Journal of Chemical Physics
Volume Number 143
Issue Number 22


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