Minimal Curvature Trajectories: Riemannian Geometry Concepts for Model Reduction in Chemical Kinetics

In dissipative ordinary differential equation systems different time scales cause anisotropic phase volume contraction along solution trajectories. Model reduction methods exploit this for simplifying chemical kinetics via a time scale separation into fast and slow modes. The aim is to approximate the system dynamics with a dimension-reduced model after eliminating the fast modes by enslaving them to the slow ones via computation of a slow attracting manifold. We present a novel method for computing approximations of such manifolds using trajectory-based optimization. We discuss Riemannian geometry concepts as a basis for suitable optimization criteria characterizing trajectories near slow attracting manifolds and thus provide insight into fundamental geometric properties of multiple time scale chemical kinetics. The optimization criteria correspond to a suitable mathematical formulation of "minimal relaxation" of chemical forces along reaction trajectories under given constraints. We present various geometrically motivated criteria and the results of their application to three test case reaction mechanisms serving as examples. We demonstrate that accurate numerical approximations of slow invariant manifolds can be obtained.Comment: 22 pages, 18 figure

A variational principle for computing slow invariant manifolds in dissipative dynamical systems

A key issue in dimension reduction of dissipative dynamical systems with spectral gaps is the identification of slow invariant manifolds. We present theoretical and numerical results for a variational approach to the problem of computing such manifolds for kinetic models using trajectory optimization. The corresponding objective functional reflects a variational principle that characterizes trajectories on, respectively near, slow invariant manifolds. For a two-dimensional linear system and a common nonlinear test problem we show analytically that the variational approach asymptotically identifies the exact slow invariant manifold in the limit of both an infinite time horizon of the variational problem with fixed spectral gap and infinite spectral gap with a fixed finite time horizon. Numerical results for the linear and nonlinear model problems as well as a more realistic higher-dimensional chemical reaction mechanism are presented.Comment: 16 pages, 5 figure

Bibliography of Books Published in 2010 and of Some Books Published Earlier

Advisory Committee on the Assessment of Restitution Applications for Items of Cultural Value and the Second World War (ed.). Report 2009. The Hague: 2010. 88 pp. No ISBN or ISSN. No price. This is the last annual report of the Dutch Advisory Committee on Restitution. The report informs the public of 16 applications in which the return of art objects have been demanded in 2009. In about 50% of cases, the objects were returned. The applications of the other 50% were rejecte