Kinetic simulation of polymerization involving termination by reversible chain transfer

Abstract

Numerical integration has been used as a means of simulating the title polymerization so that the variation of molecular weight and molecular weight distribution with reaction time (conversion) can be evaluated. The time/conversion dependence of the polydispersity (R) has been evaluated as a function of the relative magnitude of the rate constants associated with the initiation/termination equilibria . It is shown that the short term behaviour of R and the rate of approach to the value (R = 4/3) predicted by the steady state treatment have a marked dependence on the choice of rate constants.