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Continuum percolation in macromolecular fluids

J. Chem. Phys. 113, 9310 (2000); doi:10.1063/1.1319657

Issue Date: 22 November 2000

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Avik P. Chatterjee
Department of Chemistry, SUNY-ESF, 121 Edwin C. Jahn Laboratory, Syracuse, New York 13210
A heuristic treatment of the connectedness Ornstein–Zernike equation is developed for macromolecular fluids within the framework of the polymer reference interaction site model (PRISM). Results are presented for the critical volume fraction at the percolation threshold and for the mean number of interchain contacts per molecule for athermal rodlike and Gaussian coil-like particles. The results for rodlike particles are in qualitative agreement with prior investigations based on fully numerical solutions of the PRISM equations, and with computer simulations of ellipsoids. The method proposed here leads to the physically reasonable result that the percolation threshold for direct connectivity on the length scale of the molecular dimensions is closely related to the semidilute crossover concentration as usually defined, and can be generalized directly to multicomponent systems. ©2000 American Institute of Physics.
History: Received 30 June 2000; accepted 30 August 2000
Permalink: http://link.aip.org/link/?JCPSA6/113/9310/1
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KEYWORDS and PACS

Keywords
PACS
  • 61.20.-p
    Structure of solids and liquids; crystallography Structure of liquids
  • 05.50.+q
    Statistical physics, thermodynamics, and nonlinear dynamical systems Lattice theory and statistics (Ising, Potts, etc.)
  • 64.60.Ak
    Equations of state, phase equilibria, and phase transitions General studies of phase transitions Renormalization-group, fractal, and percolation studies of phase transitions
  • YEAR: 2000

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PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
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