Numerical Solution of Stiff Ordinary Differential Equations for Polymerisation Kinetics

Abstract

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.

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Document Details

Document Type
Technical Report
Publication Date
Dec 01, 1990
Accession Number
ADA238181

Entities

People

  • David R Jones
  • Victor Nanut

Organizations

  • Defence Science and Technology Group

Tags

Communities of Interest

  • Counter IED

DTIC Thesaurus Topics

  • Chemical Reactants
  • Chemical Reaction Properties
  • Chemical Reactions
  • Chemistry
  • Differential Equations
  • Equations
  • Experimental Data
  • Explosive Devices
  • Explosives
  • Insensitive Explosives
  • Materials
  • Molecules
  • Physical Chemistry
  • Plastic Bonded Explosives
  • Polymerization
  • Steady State
  • Time Dependence

Fields of Study

  • Mathematics

Readers

  • Finite Element Method (FEM) for solving Partial Differential Equations (PDEs)
  • Organic Chemistry
  • Polymer Science and Engineering.