The effect of microstructure on polyisoprene melt dynamics

ORAL

Abstract

cis-1,4 polyisoprene (PI) has been studied exhaustively due to being a major component of natural rubber and as a model system to interrogate fundamental mechanisms in polymer dynamics. Synthesis of polyisoprene (PI), a primary commercial polymer, typically results in a mixture of predominantly cis-1,4 but also trans-1,4 and 3,4 isomer repeat units. trans-1,4 PI melts have not been well characterized; a limited number of reports emphasized features that are distinct relative to isomers of similar well-studied elastomers such as polybutadiene. In this study, we systematically investigate the properties of PI random copolymers using detailed all-atom molecular dynamics simulations.  We examine the role of composition and temperature on the thermodynamic, conformational, dynamic and rheological properties providing data on the role of microstructure in a significant class of elastomers. 

*This work was supported by the Goodyear Tire & Rubber Company.

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Presenters

  • Rohit Ghanta

    • University of Tennessee, Knoxville

Authors

  • Rohit Ghanta

    • University of Tennessee, Knoxville

  • Patrycja Polinska

    • Goodyear S.A., Avenue Gordon Smith, Colmar-Berg L-7750, Luxembourg.
    • Goodyear S.A.
    • Goodyear S.A., Avenue Gordon Smith, Colmar-Berg L-7750, Luxembourg

  • Craig Burkhart

    • The Goodyear Tire & Rubber Company, 142 Goodyear Blvd., Akron, Ohio 44305, USA.
    • The Goodyear Tire and Rubber Company
    • The Goodyear Tire and Rubber Company, Akron, Ohio, USA

  • Vagelis Harmandaris

    • 1) IACM/FORTH Heraklion, Greece; 2) University of Crete; 3)The Cyprus Institute, Nicosia, Cyprus
    • University of Crete & FORTH, Greece & The Cyprus Insitute
    • 1. Institute of Applied and Computational Mathematics, Foundation for Research and Technology Hellas (FORTH), Heraklion Greece. 2. University of Crete; 3. The Cyprus Institute
    • University of Crete & IACM/FORTH & the Cyprus Institute
    • The Cypus Institute, Nicosia, Cyprus; Foundation for Research and Technology-Hellas and Univ. of Crete, Heraklion Crete, Greece.
    • Foundation for Research & Technology-Hellas and Univ. of Crete, Greece

  • Manolis Doxastakis

    • University of Tennessee
    • Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA.
    • University of Tennessee, Knoxville
    • Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee, USA
    • UT Knoxville