Klaus-Dieter Hungenberg, Michael Wulkow

Modeling and Simulation in Polymer Reaction Engineering (eBook, PDF)

A Modular Approach

• Format: PDF

Produktbeschreibung

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.

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Produktdetails

• Verlag: Wiley-VCH
• Erscheinungstermin: 18. Mai 2018
• Englisch
• ISBN-13: 9783527685752
• Artikelnr.: 54242391

Autorenporträt

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.

Inhaltsangabe

PrefaceINTRODUCTIONSpecial Features of PolymersStructures in Polymers and their Influence on Processing and Application PropertiesSome Analytical Methods for Model ValidationDescription of Polymer PropertiesPOLYMER REACTIONSModule ConceptRate Coefficients in Polymerization ReactionsBuilding MacromoleculesOnly Chain Forming Reactions Take Place, Step Growth PolymerizationChain Growth Polymerization - Initiation RequiredCopolymerizationNon-Linear PolymerizationList of ModulesREACTORS FOR POLYMERIZATION PROCESSESIntroductionWell-Mixed (Ideal) Batch Reactor (BR)Semi-Batch Reactor (Semi-BR)The Continuous Stirred Tank Reactor (CSTR)Tubular ReactorsNon-Ideal Reactor Models with Partial BackmixingPHASES AND PHASE TRANSITIONSTreatment of Volumes and ConcentrationsPhase Transfer ModulesMulti-Phase Polymerization SystemsNUMERICAL METHODSIntroductionOrdinary Differential EquationsCountable Systems of Ordinary Differential Equations - CODEsEstimating the Numerical ErrorMonte-Carlo MethodsThe Modeling Cycle: Dealing with Different ErrorsPARAMETER ESTIMATIONIntroduction: Forward and Inverse ProblemsGeneral TheoryCorrelated ParametersExample: Parameter Dependencies and ConditionsSTYRENE BUTADIENE COPOLYMERSModel DescriptionComponents of the ModelReaction ModulesExemplary SimulationsExemplification of the Modeling Cycle for the Styrene-Butadiene ExampleAPPENDIX: Nomenclature