Branch lengths resulting from both backbiting and intermolecular chain transfer to polymer are examined for the solution polymerization of butyl acrylate, using a rate‐equation model and ordinary differential equations. Backbiting is allowed to generate branches of varying length, according to a cumulative distribution function obtained from a lattice kinetic Monte Carlo simulation. About 8% of the branches produced by backbiting are 10 mers or longer. In contrast to common assumptions about the origins of short‐chain and long‐chain branches, the model indicates that nearly all of the long‐chain branches may be produced by backbiting, rather than intermolecular chain transfer to polymer.magnified image
A well‐mixed kinetic Monte Carlo (KMC) simulation is used to examine branch formation by both backbiting and intermolecular chain transfer to polymer in the solution polymerization of butyl acrylate. The results of the KMC simulations are compared to those of a rate‐equation simulation based on ordinary differential equations. The rate‐equation simulation is modified based on insight gained from the KMC simulation. While the KMC simulation requires significantly more computational time, its high resolution is advantageous when studying the branching topology of individual molecules. magnified image
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