Complete Phase Diagram of a Single Polymer Chain

ORAL

Abstract

The phase behavior of a single homopolymer chain is analogous to that of simple liquid, exhibiting an expanded coil (gas-like) phase, a collapsed globule (liquid-like) phase, and a compact solid phase. Using Wang-Landau sampling with bond-rebridging Monte Carlo moves we have studied the complete phase behavior of a flexible interaction-site polymer chain comprised of up to 256 square-well-spheres [1]. Here we present a finite-size scaling analysis for the phase behavior of a SW chain in the long chain limit. For a sufficiently short interaction range, the chain undergoes a direct freezing transition from the expanded coil without an intervening collapse transition. These results confirm the recent lattice model prediction that a collapsed-globule state is unstable with respect to a solid phase for polymers with sufficiently short-range monomer-monomer interactions [2]. \\[4pt] [1] M.P. Taylor, W. Paul, and K. Binder, J. Chem. Phys. 131, 114907 (2009).\\[0pt] [2] W. Paul, T. Strauch, F. Rampf, and K. Binder, Phys. Rev. E 75, 060801(R) (2007).

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Authors

  • Mark Taylor

    Dept. of Physics, Hiram College, Dept. of Physics, Hiram College, Hiram, OH

  • Dale Igram

    Cornell University, Air Force Research Labs, The Center for Photochemical Sciences and Department of Physics, BGSU, Department of Physics, BGSU, Department of Physics and Astronomy, Ball State University, Miami University, Johannes-Gutenberg-Universitat, Mainz, Germany, Martin-Luther-Universitat, Halle, Germany, The Ohio State University, Department of Physics, Columbus, OH 43210, USA, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA, Ohio Northern University, The Ohio State University, Department of Physics, Columbus, OH 43210, Sciprint.org, Ball State University, Department of Physics and Materials Research Institute, Pennsylvania State University, University Park, PA 16802

  • Dale Igram

    Cornell University, Air Force Research Labs, The Center for Photochemical Sciences and Department of Physics, BGSU, Department of Physics, BGSU, Department of Physics and Astronomy, Ball State University, Miami University, Johannes-Gutenberg-Universitat, Mainz, Germany, Martin-Luther-Universitat, Halle, Germany, The Ohio State University, Department of Physics, Columbus, OH 43210, USA, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA, Ohio Northern University, The Ohio State University, Department of Physics, Columbus, OH 43210, Sciprint.org, Ball State University, Department of Physics and Materials Research Institute, Pennsylvania State University, University Park, PA 16802