Monte Carlo Simulations of Partially Ionized Polyelectrolytes: Conformational Properties

George A. Christos, Steven L. Carnie, Trevor P. Creamer

Research output: Contribution to journalArticlepeer-review

22 Scopus citations

Abstract

We present results of Monte Carlo simulations of partially ionized polyelectrolytes where the charged beads interact through screened Coulomb potentials of Debye-Hückel form. We discuss the behavior of the mean square end-to-end distance versus chain length for a variety of degrees of ionization and added salt concentrations, including the dependence of the apparent scaling exponent on the degree of ionization. We also present estimates for the infinite-chain persistence length, obtained both directly from finite-chain results and by extrapolation from the distribution of bond angles relative to the central bond.

Original languageEnglish
Pages (from-to)1121-1124
Number of pages4
JournalMacromolecules
Volume25
Issue number3
DOIs
StatePublished - May 1 1992

ASJC Scopus subject areas

  • Organic Chemistry
  • Polymers and Plastics
  • Inorganic Chemistry
  • Materials Chemistry

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