ISBN: 3540658513
TITLE: Scientific Computing in Chemical Engineering II
AUTHOR: Keil, Frerich; Mackens, Wolfgang; Vo, Heinrich; Werther, Joachim (Eds.)
TOC:

Preface V
1 Invited Presentations 1
Direct Multiple Shooting Methods for Control and Optimization of DAE in Chemical Engineering 2
Irene Bauer II. Georg Bock, Daniel B. Leineweber, Johannes P. Schlder
Topology Based Comparison Technique for Vector Fields Using Earth Mover's Distance 19
Rajesh Batra Yingmei Lavin Lambertus Hesselink
New Algorithms for Nonlinear Generalized Disjunctive Programming 31
Ignacio E. Grossmann Sangbum Lee
A Framework for Control, State Estimation, Fault Detection, and Verification of Hybrid Systems 46
Manfred Morari Alberto Bemporad Domenico Mignone Optimisation of Hybrid Dynamic Processes 62
Constantinos C. Puntelides, Marios P. Avraam Nilay Shah
Multi-Scale Approaches in Engineering and Scientific Computing 77
George Stephanolpoulos
2 Combustion and Flame 93
Numerical Simulation of Soot Particle Size Distributions with a Discrete Galerkin Method 94
Jrg Appel, Henning Bockhorn, Michael Wulkow
Direct Numerical Simulation of 3d Flame Balls 102
Henning Bockhorn, Jochen Frhlich, Wolfgang Gerlinger, Kai Schneider
Hybrid Mixed Discretization Methods for Combustion Problems in Porous Media 110
Peter Knabner, Gerhard Summ
Soot and NOx Formation in a Stationary Turbulent Combuster 118
Markus Kraft Michael Balthasar Fabian Mauss
A DNS Study of Curvature Effects in Turbulent Premixed Flames 126
Marc Lange Jrgen Warnatz
3D-Modeling of Coal Combustion in Circulating Fluidized Beds 134
K. Luecke, T. Knoebig, J. Werther
Transient Modeling of a Catalytic Combustor: A Critical Review of Assumptions Commonly Made 142
Roland Wanker, Harald Raupenstrauch, Gernot Staudinger
3 Computer Aided Process Design 151
Parallel Modular Dynamic Process Simulation
Jrgen Borchardt, Klaus Ehrhardt, Friedrich Grund, Dietmar Horn
Parallel Solution of Reaction-Diffusion Equations with a Stabilization Method 160
Uwe Kleis
Integration of Membrane Technology in Process Synthesis-Exemplary Separation of Acetic Acid - Water 168
G. Krabbe, R. Gnther, J. Hapke H. Kadereit G. Schernbecker
Hahn Polynomials and the Efficient Modelling of Fractionation 176
Peter Lory
Coupling Iterative Subsystem Solvers 184
Wolfgnag Mackens, Jrgen Menck, Heinrich Voss
Work Control for Newton Type Coupling 192
Jrgen Menck
The Use of Numerical Tracking of Homoclinic and Heteroclinic Orbits in the Analysis of Chemical Engineering Problems 200
Igor Schreiber Martin Kohout, Milan Kubicek
Modelling and Numerical Simulation of a Crosscurrent Heat Exchanger 208
Yvonne Wagner
4 Control 217
Efficient Direct Multiple Shooting in Nonlinera Model Predictive Control 218
Hans Georg Bock Moritz Diehl, Daniel Leineweber, Johannes Schlder
Control Concepts for Parabolic Equations with an Application to the Control of Fluid Flow 228
Michael Hinze, Andreas Kauffmann
Iterative Learning Control of Fluidized Bed Cornbustor for Sewage Sludge 236
Jan Lunze, Andreas Wolff
Nunerical Solution of Variable Coefficient DAEs and Descriptor System 244
Peter Kunkel, Volker Mehrmann, Werner Rath
5 Image Processing 253
A Non Linear Diffusion Approach to Investigate Plow Structures in Circulating Fluidized Bed Reactors 254
Ariane Bredebusch, Klaus Wiehler, Hans Burkhardt, Rolf-R. Grigal
Flow Visualization with Textures 262
Thomas Loser, Dieter Mewes, Yuval Levy, Lambertus Hesselink
4-D Particle Tracking Velocimetry Applied to Gas-Liquid Reactors 270
Michael Sthr Christoph Garbe, Dirk Engelmann Peter Geiler, Susana Gomes, Frank Hering, Bernd Jhne, Hans-Gnter Wagner
6 Optimization 281
Numerical Methods for Initial Value Problems and Derivative Generation for DAE Models with Application to Optimum Experimental Design of Chemical Processes 282
Irene Bauer, Hans Georg Bock, Stefan Krkel, Johannes P. Schlder
Parameter Estimation for Nonlinear Transport and Degradation Processes of Xenobiotica in Soil 290
Angelika E. Dieses Johannes P. Schlder Hans Georg Bock, Otto Richter
Combined Stochastic and Gradient-Based Optimization 298
A. R. J. Esparta E. Stein, A. Spieker E. D. Gilles
A Scalable Discrete Optimization Algorithm for Heat Integration in Early Design 306
Eric S. Fraga Ken I. M. McKinnon
Simulated Annealing for the Optimization of Chemical Batch Production Processes 314
Michael Hanke Klaus R. Schneider
Convex Relaxations for Global Constrained Optimization Problems 322
Christian Jansson
The Concept of Contiguity in Models Based on Time-Indexed Formulation 330
Josef Kallrath
A Sequential Approach for Nonlinear Optimum Experimental Design in DAE Systems 338
Stefan Krkel Irene Bauer, Hans Georg Bock, Johannes P. Schlder
Application of Direct Search Optimization for Parameter Estimation 346
Rein Luus
Process Optimization of Reactive Systems Modeled by Elementary Reactions 354
Volker Schulz, Olaf Deutschmann
Dynamic Optimization of Multicomponent Distillation Processes 362
Erik Stein, Achim Kienle, Ernst D. Gilles
7 Neural Network 371
Trajectory Tracking of a Batch Polymerization Reactor Based on Input-Output-Linearization of a Neural Process Model 372
Joachim Horn
Early Detection and Identification of Undesirable States in Chemical Plants Using Neural Networks 380
Joachim Neumann Grge Deerberg, Stefan Schlter, Wilfried Schmitt, Gnther Hessel
Adaptation of Dynamic Process Models with Integral Data A Lagrangian Approach 388
Josef Wagenhuber
Index 397
Index of Complementary Volume 403
Author's Index 409
Author's Index of Complementary Volume 411
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