Numerical Solution of Stiff Ordinary Differential Equations for Polymerisation Kinetics
MATERIALS RESEARCH LABS ASCOT VALE (AUSTRALIA)
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This report describes the derivation of a set of ordinary differential equations to model radical chain polymerization. These equations have the mathematical property of stiffness and are difficult to solve numerically. We show how these equations can be solved efficiently using either the Gear or Kaps Rentrop method. We also show how the kinetic scheme can be expanded to allow for the presence of contaminant scavenger molecules, and we apply these schemes to model experimental results for the polymerization of N- vinyl-2-pyrrolidone obtained from dilatometry measurements.
- Organic Chemistry
- Polymer Chemistry
- Numerical Mathematics