Numerical identification of selected rate constants in large chemical reaction systems

DOI10.1016/0168-9274(85)90028-5MaRDI QIDQ800696zbMATH OpenOpenAlexFDO

Authors Ulrich Nowak, Peter Deuflhard

Publication date 1985

Published in Applied Numerical Mathematics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/0168-9274(85)90028-5

zbMATH Keywords

parameter identificationstiff systemsrate coefficientchemical mass action kineticslarge chemical reaction systemsrealistic large scale problems

Mathematics Subject Classification ID

Inverse problems involving ordinary differential equations (34A55) Numerical methods for initial value problems involving ordinary differential equations (65L05) Chemical kinetics in thermodynamics and heat transfer (80A30)

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Cites work

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• scientific article; zbMATH DE number 3816970 (Why is no real title available?)
• scientific article; zbMATH DE number 3692552 (Why is no real title available?)
• scientific article; zbMATH DE number 3538668 (Why is no real title available?)
• A Program for Fitting Rate Constants in Gas Phase Chemical Kinetics Models
• A semi-implicit mid-point rule for stiff systems of ordinary differential equations
• A stepsize control for continuation methods and its special application to multiple shooting techniques
• Handbook series linear algebra. Linear least squares solutions by Householder transformations
• On rank-deficient pseudoinverses
• Recent Progress in Extrapolation Methods for Ordinary Differential Equations

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(8)

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• A simple mathematical model of the bovine estrous cycle: follicle development and endocrine interactions
• The Determination of Rate Constants from Known Linear Combinations of Concentrations in a Chemical Reaction
• A convex optimization framework for the identification of homogeneous reaction systems
• A quadrature technique for reaction rate identification
• Approaches to optimization/simulation problems
• Numerical treatment of the parameter identification problem for delay- differential systems arising in immune response modelling

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