Model reduction in chemical dynamics: slow invariant manifolds, singular perturbations, thermodynamic estimates, and analysis of reaction graph

The paper has two goals:(1)It presents basic ideas, notions, and methods for reduction of reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds, and limiting steps.(2)It describes briefly the current state of the art and some latest achievements in the broad area...

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Published inCurrent opinion in chemical engineering Vol. 21; pp. 48 - 59
Main Author Gorban, AN
Format Journal Article
LanguageEnglish
Published Elsevier Ltd 01.09.2018
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Summary:The paper has two goals:(1)It presents basic ideas, notions, and methods for reduction of reaction kinetics models: quasi-steady-state, quasi-equilibrium, slow invariant manifolds, and limiting steps.(2)It describes briefly the current state of the art and some latest achievements in the broad area of model reduction in chemical and biochemical kinetics, including new results in methods of invariant manifolds, computation singular perturbation, bottleneck methods, asymptotology, tropical equilibration, and reaction mechanism skeletonization.
ISSN:2211-3398
2211-3398
DOI:10.1016/j.coche.2018.02.009