The substitution effect in the modeling of polymerization processes
Polimery 1997, No 7-8, 421
The classical and the Monte Carlo procedures for modeling stepwise polymerization processes were described and the simplest case of polymerization of a bifunctional monomer was approached in terms of statistical and kinetic calculations. Time correlations were shown to affect the result of modeling.The phenomenological method for modeling the reactivity of functional groups (substitution effect) was explained. When introduced into the model, the effect of substitution of functional groups made it visible how time correlations affected the calculated distribution of polymerization steps. The statistical and the kinetic methods should be used to model respectively the equilibrium and the kinetic-controlled polymerization processes.