Reactive Flows, Diffusion and Transport: From Experiments Via Mathematical Modeling to Numerical Simulation and Optimization

ISBN-13: 9783540283799 / Angielski / Twarda / 2006 / 688 str.

Willi Jager; Rolf Rannacher; Jurgen Warnatz

Opis

The articles in this volume summarize the research results obtained in the former SFB 359 "Reactive Flow, Diffusion and Transport" which has been supported by the DFG over the period 1993-2004. The main subjects are physical-chemical processes sharing the difficulty of interacting diffusion, transport and reaction which cannot be considered separately. Typical examples are the chemical processes in flow reactors and in the catalytic combustion at surfaces. Further examples are models of star formation including diffusive mass transport, energy radiation and dust formation and the polluting transport in soil and waters. For these complex processes mathematical models are established and numerically simulated. The modeling uses multiscale techniques for nonlinear differential equations while for the numerical simulation and optimization goal-oriented mesh and model adaptivity, multigrid techniques and advanced Newton-type methods are developed combined with parallelization. This modeling and simulation is accompanied by experiments.

Spis treści

Mathematical Analysis for Transport-Reaction Systems.- Fluid Flows and Free Boundaries.- Nonlinear Evolution Equations and Applications.- Navier-Stokes Equations and Chemical Reactions.- Mesh and Model Adaptivity for Flow Problems.- Parallel Multigrid on Locally Refined Meshes.- Solving Multidimensional Reactive Flow Problems with Adaptive Finite Elements.- Optimization Methods for Reactive Flows.- Robustness Aspects in Parameter Estimation, Optimal Design of Experiments and Optimal Control.- Multiple Set Point Partially Reduced SQP Method for Optimal Control of PDE.- Adaptive Finite Element Methods for PDE-Constrained Optimal Control Problems.- Chemical Reaction Systems.- Determination of Kinetic Parameters in Laminar Flow Reactors. I. Theoretical Aspects.- Determination of Kinetic Parameters in Laminar Flow Reactors. II. Experimental Aspects.- Optimization of Reactive Flows in a Single Channel of a Catalytic Monolith: Conversion of Ethane to Ethylene.- Reaction Processes on Catalytically Active Surfaces.- Stochastic Modeling and Deterministic Limit of Catalytic Surface Processes.- Turbulent Flow and Combustion.- Multigrid Methods for Large-Eddy Simulation.- Modeling and Simulation of Turbulent Non-Reacting and Reacting Spray Flows.- Transport and Diffusion in Boundary Layers of Turbulent Channel Flow.- Diffusion and Transport in Accretion Discs.- Evolution of Protoplanetary Disks Including Detailed Chemistry and Mineralogy.- Numerical Methods for Multidimensional Radiative Transfer.- Flows in Porous Media.- Multiscale Analysis of Processes in Complex Media.- Microscopic Interfaces in Porous Media.- High-Accuracy Approximation of Effective Coefficients.- Numerical Simulation and Experimental Studies of Unsaturated Water Flow in Heterogeneous Systems.- Lake Dynamics: Observation and High-Resolution Numerical Simulation.- Computer Visualization.- Advanced Flow Visualization with HiVision.- VisuSimple: An Interactive Visualization Utility for Scientific Computing.- Volume Rendering in Scientific Applications.