CONTENTS

Section 4.3 Emulsion Polymerization Model

Summary of Applications .....................................................................................4 •122
Emulsion Polymerization Processes ....................................................................4•123
Reaction Kinetic Scheme ......................................................................................4•123
Micellar Nucleation ............................................................................................4 •124
Homogeneous Nucleation...................................................................................4•128
Particle Growth ..................................................................................................4 •130
Radical Balance ..................................................................................................4•131
Kinetics of Emulsion Polymerization ................................................................4•136
Model Features and Assumptions........................................................................4•139
Model Assumptions ............................................................................................4 •139
Thermodynamics of Monomer Partitioning ......................................................4•139
Polymer Particle Size Distribution....................................................................4 •140
Polymer Particle Properties Calculated ..............................................................4•142
User Profiles .......................................................................................................4•143
Specifying Emulsion Polymerization Kinetics ....................................................4•144
Accessing the Emulsion Model ..........................................................................4•144
Specifying the Emulsion Model .........................................................................4•144
Specifying Reacting Species...............................................................................4•145
Listing Reactions ................................................................................................4•145
Adding Reactions ................................................................................................4 •146
Editing Reactions ...............................................................................................4 •146
Assigning Rate Constants to Reactions ............................................................4 •147
Selecting Calculation Options............................................................................4•147
Adding Gel-Effect ...............................................................................................4•147
Specifying Phase Partitioning ...........................................................................4•148
Specifying Particle Growth Parameters............................................................4•148
References..............................................................................................................4 •149

Section 4.4 Ziegler-Natta Polymerization Model

Summary of Applications .....................................................................................4 •152
Ziegler-Natta Processes ........................................................................................4 •152
Catalyst Types ....................................................................................................4•153
Ethylene Process Types......................................................................................4 •153
Propylene Process Types ....................................................................................4 •154
Reaction Kinetic Scheme ......................................................................................4•157
Catalyst Site Activation .....................................................................................4•164
Chain Initiation ..................................................................................................4•165
Propagation.........................................................................................................4 •165
Chain Transfer to Small Molecules ...................................................................4 •166
Site Deactivation ................................................................................................4 •166
Site Inhibition .....................................................................................................4•167
Cocatalyst Poisoning ..........................................................................................4 •167
Long Chain Branching Reactions......................................................................4•167
Model Features and Assumptions........................................................................4•168
Phase Equilibria .................................................................................................4•168
Rate Calculations................................................................................................4•168

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