Efficient numerical integration of stiff differential equations in polymerisation reaction engineering: Computational aspects and applications

摘要: The modelling of the full molecular weight distribution in addition polymerisation gives rise to very large dimension (103–106) systems ordinary differential equations, often exhibiting serious stiffness issues. This article summarises a methodology recently implemented by our group, which QSSA is applied on fast dynamic species order reduce stiffness, and then remaining equations are solved computationally inexpensive explicit algorithms (such as Euler). Specific features illustrated application academically industrially relevant controlled radical (RAFT NMP cases) coordination catalysis polymerisation. © 2012 Canadian Society for Chemical Engineering