Statistical mechanics of charged polymers in electrolyte solutions: A lattice field theory approach

Stefan Tsonchev, Rob D. Coalson, and Anthony Duncan
Phys. Rev. E 60, 4257 – Published 1 October 1999
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Abstract

The lattice field theory approach to the statistical mechanics of a classical Coulomb gas [R.D. Coalson and A. Duncan, J. Chem. Phys. 97, 5653 (1992)] is generalized to include charged polymer chains. Saddle-point analysis is done on the functional integral representing the partition function of the full system. Mean-field level analysis requires extremization of a real-valued functional which possesses a single minimum, thus guaranteeing a unique solution. The full mean-field equations for such a coupled system are derived, as well as the leading (one-loop) fluctuation corrections. Two different numerical real-space lattice procedures are developed to implement the generalized theory; these are applied to the problem of a charged polymer confined to a spherical cavity in an electrolyte solution. The results provide insight into the physics of confined polyelectrolytes.

  • Received 25 February 1999

DOI:https://doi.org/10.1103/PhysRevE.60.4257

©1999 American Physical Society

Authors & Affiliations

Stefan Tsonchev and Rob D. Coalson

  • Department of Chemistry, University of Pittsburgh, Pittsburgh, Pennsylvania 15260

Anthony Duncan

  • Department of Physics, University of Pittsburgh, Pittsburgh, Pennsylvania 15260

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Vol. 60, Iss. 4 — October 1999

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