[PDF][PDF] Simplification of mathematical models of chemical reaction systems

MS Okino, ML Mavrovouniotis - Chemical reviews, 1998 - Citeseer
Detailed modeling of complex reaction systems is becoming increasingly important in the
development, analysis, design, and control of chemical reaction processes. For industrial …

Mathematical tools for the construction, investigation and reduction of combustion mechanisms

AS Tomlin, T Turányi, MJ Pilling - Comprehensive chemical kinetics, 1997 - Elsevier
Publisher Summary Chemical mechanisms have been employed in hydrocarbon
combustion as a means of understanding the underlying phenomenology of the combustion …

Asymptotic analysis of two reduction methods for systems of chemical reactions

HG Kaper, TJ Kaper - Physica D: Nonlinear Phenomena, 2002 - Elsevier
This paper concerns two methods for reducing large systems of chemical kinetics equations,
namely, the method of intrinsic low-dimensional manifolds (ILDMs) due to Maas and Pope …

Invariant manifold methods for metabolic model reduction

MR Roussel, SJ Fraser - Chaos: An Interdisciplinary Journal of …, 2001 - pubs.aip.org
After the decay of transients, the behavior of a set of differential equations modeling a
chemical or biochemical system generally rests on a low-dimensional surface which is an …

Computing minimal entropy production trajectories: An approach to model reduction in chemical kinetics

D Lebiedz - The Journal of chemical physics, 2004 - pubs.aip.org
Advanced experimental techniques in chemistry and physics provide increasing access to
detailed deterministic mass action models for chemical reaction kinetics. Especially in …

Fast and slow dynamics for the computational singular perturbation method

A Zagaris, HG Kaper, TJ Kaper - Multiscale Modeling & Simulation, 2004 - SIAM
The computational singular perturbation (CSP) method ofLam and Goussis is an iterative
method to reduce the dimensionality of systems of ordinary differential equations with …

Kinetic modeling of large‐scale reaction systems

TC Ho - Catalysis reviews, 2008 - Taylor & Francis
This review gives a brief account of basic ideas underlying approaches to analysis and
modeling of large‐scale reaction systems. The emphasis is on model simplification and …

On slow manifolds of chemically reactive systems

S Singh, JM Powers, S Paolucci - The Journal of chemical physics, 2002 - pubs.aip.org
This work addresses the construction of slow manifolds for chemically reactive flows. This
construction relies on the same decomposition of a local eigensystem that is used in …

The use of slow manifolds in reactive flows

Z Ren, SB Pope - Combustion and flame, 2006 - Elsevier
In calculations of chemically reactive flows, dimension reduction of reactive systems via the
use of slow attracting manifolds is an effective approach to reducing the computational …

Application of the ICE-PIC method for the dimension reduction of chemical kinetics coupled with transport

Z Ren, SB Pope, A Vladimirsky… - Proceedings of the …, 2007 - Elsevier
A new dimension-reduction method, the Invariant Constrained-equilibrium Edge Pre-Image
Curve (ICE-PIC) method, to simplify chemical kinetics has recently been developed by Ren …