Scientific Computing in Chemical Engineering de Frerich Keil

Scientific Computing in Chemical Engineering

Frerich Keil

Wolfgang Mackens

Heinrich Voß

Joachim Werther

Scientific Computing in Chemical Engineering gives the state of the art from the point of view of the numerical mathematicians as well as from the engineers. The application of modern methods in numerical mathematics on problems in chemical engineering, especially reactor modeling, process simulation, process optimization and the use of parallel computing is detailed.

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Cuprins

Combustion of Coal in Pressurized Fluidized Bed Reactors.- Parallel Evolutionary Algorithms for Optimizing the Unifac Matrix on Workstation Clusters.- Euler/Euler Modelling of Fluidized Bed Fluiddynamics.- Dynamic Dimension Reduction in ODE Models.- Compact Finite Difference Methods for the Solution of Chemical Engineering Problems.- Advantages of an Adaptive Method: The Simulation of a Fixed-Bed Reactor with Periodic Flow Reversal.- A Mathematical Model of Emulsion Polymerization.- Differential-Algebraic Systems in the Chemical Process Simulation.- Optimal Temperature Control of Semibatch Polymerization Reactors.- Micro- and Macro-Scales in Porous Reactors and Their Modelling.- Application of Numerical Methods in Process Engineering.- Simulation of Reacting Particles Applying Orthogonal Collocation on Finite Elements.- Partitioning in Reaction Kinetics.- Qualitative Properties of a Model for Carrier Facilitated Groundwater Contaminant Transport.- Numerical Solution of Reaction-Diffusion Equations.- Parameter Estimation and Optimal Control for Dynamic Chemical Processes.- Analysis of Unsteady State Chemical Reactors by Continuation Methods.- On-Line Recognition of Critical States in Chemical Reaction Systems.- PDEX1M — A Software Package for the Numerical Solution of Parabolic Systems in One Space Dimension.- Modelling and simulation of complex biochemical processes, taking the Biogas Tower Reactor as an example.- Subspace Search Methods for Large Scale Nonlinear Optimization.- Computersimulation of the Self-Heating and Auto-Ignition of Activated Carbon Adsorbers.- Optimization of Three-Dimensional Catalyst Pore Structures.- Bacterial Growth and Bioremediation.- Numerical Treatment of Diffusion-Reaction-Equations with the Method of Lines.- An Adaptive Algorithm for Solving the Biharmonic Equation on Sparse Grids.- Parameter Estimation in Chemical Engineering, a Case Study for Resin Production.- Modelling of Chemical Reaction Systems - Parameter Redundancy and Effective Kinetics.- A Wavelet-Galerkin Method Applied to Separation Processes.- Application of Automatically Reduced Reaction Mechanisms in the Calculation of Turbulent Reactive Flows.

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"Scientific Computing in Chemical Engineering" gives the state-of-the-art from the point of view of the numerical mathematicians as well as from the engineers. The application of modern methods in numerical mathematics on problems in chemical engineering, especially reactor modeling, process simulation, process optimization and the use of parallel computing is detailed. For scientists, practitioners and graduate students in chemical engineering, industrial engineering and numerical mathematics.