Engineering model reduction and entropy-based Lyapunov functions in chemical reaction kinetics
type: Item
instance of: scholarly article
title: Engineering model reduction and entropy-based Lyapunov functions in chemical reaction kinetics
zbMATH Open document ID: 1229.80021
published in: Entropy
publication date: 2012-01-09T00:00:00Z
review text: Summary: The structural properties of chemical reaction systems obeying the mass action law are investigated and related to the physical and chemical properties of the system. An entropy-based Lyapunov function candidate serves as a tool for proving structural stability, the existence of which is guaranteed by the second law of thermodynamics. The commonly used engineering model reduction methods, the so-called quasi equilibrium and quasi steady state assumption based reductions, together with the variable lumping are formally defined as model transformations acting on the reaction graph. These model reduction transformations are analysed to find conditions when (a) the reduced model remains in the same reaction kinetic system class, (b) the reduced model retains the most important properties of the original one including structural stability. It is shown that both variable lumping and quasi equilibrium based reduction preserve both the reaction kinetic form and the structural stability of reaction kinetic models of closed systems with mass action law kinetics, but this is not always the case for the reduction based on quasi steady state assumption.
Mathematics Subject Classification ID: 80A30
Mathematics Subject Classification ID: 93A30
Mathematics Subject Classification ID: 93D05
Mathematics Subject Classification ID: 93C95
Mathematics Subject Classification ID: 80A32
Mathematics Subject Classification ID: 92C20
zbMATH DE Number: 5995861
zbMATH Keywords: reaction kinetic models
zbMATH Keywords: structural stability
zbMATH Keywords: entropy-based Lyapunov function
zbMATH Keywords: reaction graph
zbMATH Keywords: model reduction
zbMATH Keywords: lumping
zbMATH Keywords: quasi steady state
zbMATH Keywords: quasi equilibrium
zbMATH Keywords: deficiency
author: Katalin Hangos
MaRDI profile type: Publication
full work available at URL: https://doi.org/10.3390/e12040772
OpenAlex ID: W1983722334
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DOI: 10.3390/E12040772
description: scientific article; zbMATH DE number 5995861