The Effective Flory-Huggins Parameter in Polarizable Polymeric Systems: One-loop Theory and Field-theoretic Simulations

ORAL

Abstract

We apply a recently-introduced polarizable field theory to polymeric systems containing polarizable (and, optionally, charged) species. This framework, in which classical Drude oscillators are attached to the polymer segments, self-consistently incorporates dielectric response, van der Waals interactions and ion self-energies. The van der Waals interactions in a system with polarizability contrast give rise to an enhanced effective Flory-Huggins parameter, which we show can be estimated via a renormalized one-loop approximation. By complex Langevin sampling of the fully-fluctuating polarizable field theory, we simulate a diblock copolymer melt with species polarizability contrast and measure the enhancement of the Flory-Huggins parameter, finding excellent agreement with the renormalized one-loop theory. The effective Flory-Huggins parameter is sensitive to electrostatic screening, in a manner that is clarified by the one-loop theory. We discuss implications of this work for the phase behavior of polarizable and/or charged polymeric systems.

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Presenters

  • Douglas Grzetic

    Univ of California - Santa Barbara

Authors

  • Douglas Grzetic

    Univ of California - Santa Barbara

  • Kris Delaney

    Univ of California - Santa Barbara, UC Santa Barbara, Materials Research Laboratory, Univ of California - Santa Barbara, Materials Research Laboratory, University of California, University of California - Santa Barbara, Materials Research Laboratory and Department of Chemical Engineering and Materials, University of California, Santa Barbara

  • Glenn Fredrickson

    Univ of California - Santa Barbara, UC Santa Barbara, Materials Research Laboratory, UC Santa Barbara, Chemical Engineering, Univ of California - Santa Barbara, Chemical Engineering, Materials, and Materials Research Laboratory, University of California, University of California - Santa Barbara, Materials Research Laboratory and Department of Chemical Engineering and Materials, University of California, Santa Barbara