User Reactions......................................................................................................

4 •67
User Subroutines.................................................................................................. 4 •69
Specifying Step-Growth Polymerization Kinetics................................................. 4•87
Accessing the Step-Growth Model....................................................................... 4•87
Specifying the Step-Growth Model ..................................................................... 4•88
Specifying Reacting Components ........................................................................ 4•89
Listing Built-In Reactions.................................................................................... 4 •89
Specifying Built-In Reaction Rate Constants..................................................... 4•90
Assigning Rate Constants to Reactions .............................................................. 4 •90
Including User Reactions..................................................................................... 4 •91
Adding or Editing User Reactions....................................................................... 4•92
Assigning Rate Constants to User Reactions ..................................................... 4 •92
Selecting Report Options ..................................................................................... 4 •92
Including a User Kinetic Subroutine .................................................................. 4•93
Including a User Rate Constant Subroutine ...................................................... 4•93
Including a User Basis Subroutine ..................................................................... 4•93
References ............................................................................................................... 4 •94

Section 4.2 Free-Radical Bulk Polymerization

Summary of Applications ....................................................................................... 4 •96
Free-Radical Bulk/Solution Processes ................................................................... 4•97
Reaction Kinetic Scheme ........................................................................................ 4•97
Initiation ............................................................................................................. 4•102
Propagation......................................................................................................... 4 •104
Chain Transfer to Small Molecules................................................................... 4 •105
Termination ........................................................................................................ 4•105
Short and Long Chain Branching ..................................................................... 4•106
Beta-Scission....................................................................................................... 4•107
Model Features and Assumptions........................................................................ 4•107
Calculation Method ............................................................................................ 4 •108
Quasi-Steady-State Approximation (QSSA) ..................................................... 4•109
Phase Equilibrium.............................................................................................. 4•109
Gel Effect ............................................................................................................ 4 •109
Polymer Properties Calculated ............................................................................ 4•112
Specifying Free-Radical Polymerization Kinetics............................................... 4•115
Accessing the Free-Radical Model..................................................................... 4•115
Specifying the Free-Radical Model.................................................................... 4•115
Specifying Reacting Species............................................................................... 4•116
Listing Reactions ................................................................................................ 4•116
Adding Reactions................................................................................................ 4 •117
Editing Reactions ............................................................................................... 4 •117
Assigning Rate Constants to Reactions ............................................................ 4 •118
Selecting Calculation Options ........................................................................... 4•118
Adding Gel-Effect ............................................................................................... 4•118
References ............................................................................................................. 4 •119

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