[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 …

Methods of model reduction for large-scale biological systems: a survey of current methods and trends

TJ Snowden, PH van der Graaf, MJ Tindall - Bulletin of mathematical …, 2017 - Springer
Complex models of biochemical reaction systems have become increasingly common in the
systems biology literature. The complexity of such models can present a number of …

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 …

Current theoretical approaches to collective behavior of dislocations

G Ananthakrishna - Physics reports, 2007 - Elsevier
Plastic deformation is a highly dissipative process that induces a variety of patterns such as
the cell structure in multislip conditions, the matrix structure and the persistent slip bands in …

A reduced mechanism for biodiesel surrogates for compression ignition engine applications

Z Luo, M Plomer, T Lu, S Som, DE Longman… - Fuel, 2012 - Elsevier
A skeletal mechanism with 115 species and 460 reactions for a tri-component biodiesel
surrogate, which consists of methyl decanoate, methyl 9-decenoate and n-heptane, was …

Automatic mechanism and kinetic model generation for gas‐and solution‐phase processes: a perspective on best practices, recent advances, and future challenges

R Van de Vijver, NM Vandewiele… - … Journal of Chemical …, 2015 - Wiley Online Library
Completely automated mechanism generation of detailed kinetic models is within reach in
the coming decade. The recent developments in this field of chemical reaction engineering …

Whole-body physiologically based pharmacokinetic models

I Nestorov - Expert opinion on drug metabolism & toxicology, 2007 - Taylor & Francis
This review summarizes the most recent developments in and applications of physiologically
based pharmacokinetic (PBPK) modeling methodology originating from both the …

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 …

Model reduction for chemical kinetics: An optimization approach

L Petzold, W Zhu - AIChE journal, 1999 - Wiley Online Library
The kinetics of a detailed chemically reacting system can potentially be very complex.
Although the chemist may be interested in only a few species, the reaction model almost …

Geometric investigation of low-dimensional manifolds in systems approaching equilibrium

MJ Davis, RT Skodje - The Journal of chemical physics, 1999 - pubs.aip.org
Many systems approach equilibrium slowly along surfaces of dimension smaller than the
original dimensionality. Such systems include coupled chemical kinetics and master …