Modeling and Simulation in Polymer Reaction Engineering (eBook)

A Modular Approach

Klaus-Dieter Hungenberg, Michael Wulkow (Autoren)

eBook Download: PDF

2018
Wiley-VCH Verlag GmbH & Co. KGaA
978-3-527-68575-2 (ISBN)

Infos

Introducing a unique, modular approach to modeling polymerization reactions, this useful book will enable practitioners - chemists and engineers alike - to set up and structure their own models for simulation software like Predici®, C++, MatLab® or others. The generic modules are exemplified for concrete situations for various reactor types and reaction mechanisms and allow readers to quickly find their own point of interest - a highly useful information source for polymer engineers and researchers in industry and academia.

Dieses Buch folgt einem modularen Ansatz bei der Modellierung von Polymerisationsreaktionen und versetzt Praktiker in die Lage, ihre eigenen Modelle für Simulationswerkzeuge wie Predici®, C++, MatLab usw. zu entwickeln. Ein überaus nützliches Referenzwerk für Polymeringenieure und Forscher.

Autor

Klaus-Dieter Hungenberg has been Vice President Polymer Reaction Engineering at BASF SE until his retirement in 2013. In 2012 he received an Honorary Professorship at the University of Paderborn. He is (co-)author of more than 100 scientific articles and patents. Michael Wulkow founded the company Computing in Technology (CiT) in 1992 and since then has been involved in projects, research and numerous publications on the modeling and numerical treatment of processes in technical chemistry, biology, particle technology and pharmacokinetics.

Inhalt

Preface

INTRODUCTION
Special Features of Polymers
Structures in Polymers and their Influence on Processing and Application Properties
Some Analytical Methods for Model Validation
Description of Polymer Properties

POLYMER REACTIONS
Module Concept
Rate Coefficients in Polymerization Reactions
Building Macromolecules
Only Chain Forming Reactions Take Place, Step Growth Polymerization
Chain Growth Polymerization - Initiation Required
Copolymerization
Non-Linear Polymerization
List of Modules

REACTORS FOR POLYMERIZATION PROCESSES
Introduction
Well-Mixed (Ideal) Batch Reactor (BR)
Semi-Batch Reactor (Semi-BR)
The Continuous Stirred Tank Reactor (CSTR)
Tubular Reactors
Non-Ideal Reactor Models with Partial Backmixing

PHASES AND PHASE TRANSITIONS
Treatment of Volumes and Concentrations
Phase Transfer Modules
Multi-Phase Polymerization Systems

NUMERICAL METHODS
Introduction
Ordinary Differential Equations
Countable Systems of Ordinary Differential Equations - CODEs
Estimating the Numerical Error
Monte-Carlo Methods
The Modeling Cycle: Dealing with Different Errors

PARAMETER ESTIMATION
Introduction: Forward and Inverse Problems
General Theory
Correlated Parameters
Example: Parameter Dependencies and Conditions

STYRENE BUTADIENE COPOLYMERS
Model Description
Components of the Model
Reaction Modules
Exemplary Simulations
Exemplification of the Modeling Cycle for the Styrene-Butadiene Example

APPENDIX: Nomenclature

Produkt-Details

• Erscheint lt. Verlag: 18.5.2018
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie
• Schlagworte: Analytical Methods • application properties • APPROACHES • CASE • chemical engineering • Chemie • Chemische Verfahrenstechnik • Chemistry • Coefficients • Computer-aided Engineering • Computergestützte Verfahrenstechnik • Description • End • Group • Industrial Chemistry • Influence • Materials Science • Materialwissenschaften • Materialwissenschaften / Theorie, Modellierung u. Simulation • One • one type • Place • Polymer • Polymere • Polymerization reactions • Polymer processing • Polymers • Polymer Science & Technology • Polymerverarbeitung • Polymerwissenschaft u. -technologie • Properties • Reactions • Special • Structures • Technische u. Industrielle Chemie • Theory, Modeling & Simulation • Verfahrenstechnik
• ISBN-10: 3-527-68575-8 / 3527685758
• ISBN-13: 978-3-527-68575-2 / 9783527685752