Model for the aggregation state of living anionic polymers

A theoretical model for the aggregation state of living polymers was developed with polar headgroups in hydrocarbon solvents. The polymers with butadineyllithium head groups were examined in benzene. The stretching energy of polymer chains in the micelles was calculated using numerical solutions. Semiempirical and ab initio quantum chemistry methods were used to calculate the headgroup geometries and binding energies. The general aggregation state of the model consisted of Gaussian-distributed spherical micelles for long polymer chain lengths.