Model for the aggregation state of living anionic polymers

Amalie L. Frischknecht, Scott Thomas Milner

Research output: Contribution to journalArticlepeer-review

17 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)1032-1050
Number of pages19
JournalJournal of Chemical Physics
Volume114
Issue number2
DOIs
StatePublished - Jan 1 2001

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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