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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. 

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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