Polymer Reaction Engineering -- Contents -- Contributors -- Preface -- Notation -- Acronyms -- 1 Introduction to Polymerization Processes -- 1.1 Microstructural features of polymers and their effect on properties -- 1.1.1 Chemical composition and monomer sequence distribution -- 1.1.2 Molecular weight distribution -- 1.1.3 Polymer architecture -- 1.1.4 Chain configuration -- 1.1.5 Morphology -- 1.1.6 Effect of processing and compounding on the microstructure of the polymeric materials -- 1.2 Classes of polymerizations -- 1.2.1 Chain-growth polymerization -- 1.2.2 Step-growth polymerization -- 1.3 Polymerization techniques -- 1.4 Main commercial polymers -- 1.4.1 Polyolefins -- 1.4.2 Styrenic polymers -- 1.4.3 Poly(vinyl chloride) -- 1.4.4 Waterborne dispersed polymers -- 1.4.5 Polyesters and polyamides -- 1.4.6 Thermosets -- 1.5 Polymerization reactors -- References -- 2 Coordination Polymerization -- 2.1 Polyolefin types: microstructural classification and analytical techniques -- 2.1.1 Polyethylene types -- 2.1.2 Polypropylene types -- 2.1.3 Polyolefin microstructural characterization techniques -- 2.2 Catalysts for olefin polymerization -- 2.2.1 Coordination catalyst types -- 2.2.2 Polymerization mechanism -- 2.3 Polymerization kinetics for single- and multiple-site catalysts -- 2.3.1 Homopolymerization -- 2.3.2 Copolymerization -- 2.3.3 Long-chain branch formation -- 2.4 Inter- and intraparticle mass and heat transfer resistances -- 2.4.1 Particle fragmentation and morphology control -- 2.4.2 Single particle models: inter- and intraparticle mass and heat transfer -- 2.5 Industrial olefin polymerization reactors -- 2.5.1 Reactor configurations and designs -- 2.5.2 Polyethylene manufacturing processes -- 2.5.3 Polypropylene manufacturing processes -- 2.5.4Mathematical models for industrial reactors -- Acknowledgments -- References.

3 Free-Radical Polymerization: Homogeneous Systems -- 3.1 Free-radical polymers: properties and applications -- 3.2 FRP mechanisms and kinetics -- 3.2.1 Homopolymerization -- 3.2.2 Copolymerization -- 3.2.3 Diffusion-controlled reactions -- 3.2.4 Kinetic balances for modeling polymer MWs -- 3.3 Controlled radical polymerization -- 3.3.1 Stable free-radical polymerization -- 3.3.2 Atom transfer radical polymerization -- 3.3.3 Reverse addition-fragmentation chain transfer polymerization -- 3.4 Polymer reaction engineering aspects -- 3.4.1 Heat removal and temperature programming -- 3.4.2 Batch reactors -- 3.4.3 Semibatch (semicontinuous) reactors -- 3.4.4 Continuous stirred-tank reactors -- 3.4.5 Tubular reactors -- 3.5 A "roadmap" for mathematical modeling -- References -- 4 Free-Radical Polymerization: Heterogeneous Systems -- 4.1 Introduction -- 4.2 High-impact polystyrene -- 4.2.1 Interrelationship between microstructure and application properties -- 4.2.2 Modeling HIPS polymerization -- 4.2.3 Optimizing final properties: melt flow index in a continuous HIPS process -- 4.2.4 Final remarks for HIPS -- 4.3 Vinyl chloride monomer bulk polymerization -- 4.3.1 Kinetic mechanism -- 4.3.2 PVC morphology -- Acknowledgments -- References -- 5 Suspension Polymerization -- 5.1 Introduction -- 5.2 Surface active agents -- 5.3 Mixing phenomena -- 5.4T he "bead" suspension polymerization process -- 5.5 The "powder" suspension polymerization process -- 5.6 Population balance modeling -- 5.6.1 The drop breakage process -- 5.6.2 The drop coalescence process -- 5.6.3 Numerical solution of the PBE -- 5.7 Physical properties and phase equilibrium calculations -- 5.7.1 Physical and transport properties -- 5.7.2 Phase equilibrium calculations -- 5.8 Effect of operating conditions on PSD -- 5.9 Scale-up of suspension polymerization reactors -- References.

6 Emulsion Polymerization -- 6.1 Main products and markets -- 6.2 Microstructural features and their effect on properties -- 6.3 Emulsion polymerization fundamentals -- 6.3.1 Description of the process -- 6.3.2 Mechanisms, thermodynamics and kinetics -- 6.4 Reactor engineering -- 6.4.1 Emulsion polymerization reactors -- 6.4.2 Predicting the performance of emulsion polymerization reactors -- 6.4.3 Implementation of emulsion polymerization -- 6.4.4 Residual monomer and VOC removal -- 6.4.5 Scale-up -- 6.5 Related processes -- 6.5.1 Inverse emulsion polymerization -- 6.5.2 Miniemulsion polymerization -- 6.5.3 Microemulsion polymerization -- 6.5.4 Dispersion polymerization -- References -- 7 Step-Growth Polymerization -- 7.1 Introduction -- 7.1.1 Examples of commercially important polymers produced by step-growth polymerization -- 7.1.2 Basic properties of step-growth polymerization processes -- 7.2 Polymerization kinetics and modeling -- 7.2.1 Reaction kinetics and the most probable distribution -- 7.2.2 Effect of non-stoichiometric composition -- 7.2.3Molecular weight development in non-linear step-growth polymerization -- 7.3 Industrial step-growth products, processes and modeling -- 7.3.1 Poly(ethylene terephthalate) production and modeling -- 7.3.2 Polyamide production processes and modeling -- 7.4 Summary -- References -- 8 Control of Polymerization Reactors -- 8.1 Characterization of the control problem -- 8.2 Classical polymerization reaction control problems -- 8.2.1 Control of reaction rates and of reactor temperature -- 8.2.2 Control of monomer conversion and polymer production -- 8.2.3 Control of molecular weight averages and MWDs -- 8.2.4 Control of copolymer composition -- 8.2.5 Control of particle size and PSDs -- 8.2.6 Control of other reaction parameters -- 8.3 On-line monitoring -- 8.3.1 Introduction.

8.3.2 On-line sensors for monitoring polymer quality -- 8.3.3 State estimation -- 8.4 Safety -- 8.4.1 Introduction -- 8.4.2 Risk parameter assessment -- 8.5 Optimum operation design and setpoint specification -- 8.5.1 Problem definition and goals -- 8.5.2 Numerical solution of the optimization problem -- 8.5.3 Use of experimental design techniques for optimization -- 8.5.4 Heuristic methods -- 8.6 Calculation of the control action and control schemes -- 8.6.1 Open-loop control -- 8.6.2 Closed-loop control -- 8.6.3 Data handling -- 8.7 Concluding remarks -- References -- Index.