Parameter estimation and accuracy matching strategies for 2-D reactor models
chemical reactionsGauss-Newton algorithmleast-squares methodparameter estimationsensitivity analysis
Numerical computation of solutions to systems of equations (65H10) Multistep, Runge-Kutta and extrapolation methods for ordinary differential equations (65L06) Method of lines for boundary value problems involving PDEs (65N40) Chemically reacting flows (80A32) Classical flows, reactions, etc. in chemistry (92E20)
The paper deals with a description of a numerical scheme applied to the solution of the PDE used in mathematical modeling of chemical reactions. The authors consider a 2-d time-dependent model in a cylindrical reactor module. The governing eqs. result from the balance equations for mass and energy, but the development is not described. The model also includes some uncertain parameters, which are determined in the numerical procedure combined with measurements. After spatial discretization a very large system of differential-algebraic equations is integrated by a one-step method using the linearly implicit extrapolation code LIMEX. The parameter identification procedure requires supplementing the governing equations with the sensitivity analysis equations. Then, the parameters can be obtained minimizing the nonlinear least-squares functional created from the simulation solutions and their measurement counterparts. For this purpose, the damped Gauss-Newton algorithm is employed. To increase the computational efficiency, the master/slave mode is used to control the Gauss-Newton iterations. Finally, some numerical experiments are presented.
- Numerical parameters estimation in models of pollutant transport with chemical reaction
- Parameter estimation and optimal experimental design in flow reactors.
- Numerical parameter estimation for chemical models in multidimensional reactive flows
- Determination of kinetic parameters in laminar flow reactors. I: Theoretical aspects
- scientific article; zbMATH DE number 970271
- scientific article; zbMATH DE number 3692552 (Why is no real title available?)
- scientific article; zbMATH DE number 4001365 (Why is no real title available?)
- scientific article; zbMATH DE number 2104353 (Why is no real title available?)
- Monotone Piecewise Cubic Interpolation
- Numerical data fitting in dynamical systems. A practical introduction with applications and software. With CD-ROM
- Numerical identification of selected rate constants in large chemical reaction systems
- Numerical methods and software for sensitivity analysis of differential-algebraic systems
- Order and stepsize control in extrapolation methods
- Sensitivity analysis of linearly-implicit differential--algebraic systems by one-step extrapolation.
- Solving Ordinary Differential Equations I
- Computational approaches to parameter estimation and model selection in immunology
- Numerical parameters estimation in models of pollutant transport with chemical reaction
- Determination of kinetic parameters in laminar flow reactors. I: Theoretical aspects
- Identification of parameters for non linear model by chemical reactor
- Parameter estimation and optimal experimental design in flow reactors.
- Numerical identification of selected rate constants in large chemical reaction systems
This page was built for publication: Parameter estimation and accuracy matching strategies for 2-D reactor models
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2566751)
