Analytical Coarse-Grained Description of Polymer Melts and Blends

ORAL

Abstract

We present an analytical coarse-grained description that maps polymer melts and blends onto fluids of soft colloidal particles. From liquid state theory, we derive the center-of-mass total pair correlation functions, $h(r)$, and the efective pair potentials, $v(r)$. The $v(r)$ serve as input to mesoscale simulations where polymer fluids are modeled as interacting soft colloidal particles. The $h(r)$ from theory and mesoscale simulations agree with united-atom simulation results with no need for fitting parameters. In this way, our approach accurately bridges between microscopic and mesoscopic descriptions of the polymer fluid structure.

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Authors

  • Edward Sambriski

  • S. Haffouz

    University of Idaho, Princeton University, Lewis \& Clark College, Portland, OR 97219, Department of Physics, Hong Kong Baptist University, Kowloon Tong, Hong Kong, McMaster University, Hamilton ON, Department of Physics, Oregon State University, IMS/NRC Canada, Otto-von-Guericke-Universitaet Magdeburg, Germany

  • S. Haffouz

    University of Idaho, Princeton University, Lewis \& Clark College, Portland, OR 97219, Department of Physics, Hong Kong Baptist University, Kowloon Tong, Hong Kong, McMaster University, Hamilton ON, Department of Physics, Oregon State University, IMS/NRC Canada, Otto-von-Guericke-Universitaet Magdeburg, Germany

  • Marina Guenza

    University of Oregon