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.

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