Modeling and Simulation in Polymer Reaction Engineering: A Modular ApproachIntroducing 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 PrediciŪ, C++, MatLabŪ 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. |
Contents
Polymer Reactions | 25 |
Reactors for Polymerization Processes | 139 |
Phases and Phase Transitions | 163 |
Numerical Methods | 193 |
Parameter Estimation | 227 |
Styrene Butadiene Copolymers | 251 |
269 | |
Appendix | 277 |
283 | |
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Common terms and phrases
active center additional algorithm apply approximation assume average butadiene chain growth chain length chain of lengths chemical component compounds compute condition consider copolymerization copolymers copy number cross-linking CSTR depends depropagation derived described differential equations emulsion polymerization end groups equilibrium error Euler method example factor Figure fraction given growing chain important initiator kg/mol kinetics kt,c l/mol/s linear living polymerization macromolecules macromonomer matrix means method modules mol/l molar mass molar mass distribution molecular mass molecules monomer monomer units Monte Carlo methods phase transfer Poisson Poisson distribution polymer polymer chains polymer reactions polymer species problem propagation properties psli radical polymerization rate coefficients react reaction rate reactor right-hand side scheme Section simulation single singular values smax solution solve solvers step-growth polymerization stochastic structure styrene temperature termination tion typical variables viscosity volume 𝜆 𝜌 𝜏