Continuum percolation in macromolecular fluids

Avik P. Chatterjee

doi:10.1063/1.1319657

Continuum percolation in macromolecular fluids

Avik P. Chatterjee

Chemistry

College of Environmental Science & Forestry

Research output: Contribution to journal › Article › peer-review

24 Scopus citations

Abstract

A heuristic and approximate treatment of the connectedness Ornstein-Zernike equation is derived for macromolecular fluids within the framework of the polymer reference interaction site model (PRISM). The equation is applied for the calculation of percolation threshold and for the mean number of interchain contacts per molecule for athermal rodlike and Gaussian coil-like particles. Results showed that the rodlike particles are in qualitative agreement with the PRISM solutions and with computer simulation of ellipsoids. This method can readily applied to polymer mixtures and to copolymer systems.

Original language	English
Pages (from-to)	9310-9317
Number of pages	8
Journal	Journal of Chemical Physics
Volume	113
Issue number	20
DOIs	https://doi.org/10.1063/1.1319657
State	Published - Nov 2000

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title = "Continuum percolation in macromolecular fluids",

abstract = "A heuristic and approximate treatment of the connectedness Ornstein-Zernike equation is derived for macromolecular fluids within the framework of the polymer reference interaction site model (PRISM). The equation is applied for the calculation of percolation threshold and for the mean number of interchain contacts per molecule for athermal rodlike and Gaussian coil-like particles. Results showed that the rodlike particles are in qualitative agreement with the PRISM solutions and with computer simulation of ellipsoids. This method can readily applied to polymer mixtures and to copolymer systems.",

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N2 - A heuristic and approximate treatment of the connectedness Ornstein-Zernike equation is derived for macromolecular fluids within the framework of the polymer reference interaction site model (PRISM). The equation is applied for the calculation of percolation threshold and for the mean number of interchain contacts per molecule for athermal rodlike and Gaussian coil-like particles. Results showed that the rodlike particles are in qualitative agreement with the PRISM solutions and with computer simulation of ellipsoids. This method can readily applied to polymer mixtures and to copolymer systems.

AB - A heuristic and approximate treatment of the connectedness Ornstein-Zernike equation is derived for macromolecular fluids within the framework of the polymer reference interaction site model (PRISM). The equation is applied for the calculation of percolation threshold and for the mean number of interchain contacts per molecule for athermal rodlike and Gaussian coil-like particles. Results showed that the rodlike particles are in qualitative agreement with the PRISM solutions and with computer simulation of ellipsoids. This method can readily applied to polymer mixtures and to copolymer systems.

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U2 - 10.1063/1.1319657

DO - 10.1063/1.1319657

M3 - Article

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VL - 113

SP - 9310

EP - 9317

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 20

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Continuum percolation in macromolecular fluids

Abstract

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