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The scaling behavior of the second virial coefficient of linear and ring polymer

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Abstract

The scaling behavior of the second virial coefficient of ring polymers at the theta temperature of the corresponding linear polymer (θ L) is investigated by off-lattice Monte Carlo simulations. The effects of the solvents are modeled by pairwise interaction between polymer monomers in this approach. Using the umbrella sampling, we calculate the effective potential U(r) between two ring polymers as well as the second virial coefficient A 2 of ring polymers at θ L, which results from a combination of 3-body interactions and topological constraints. The trend in the strength of the effective potential with respect to chain length shows a non-monotonic behavior, differently from that caused only by topological constraints. Our simulation suggests that there are three regimes about the scaling behavior of A 2 of ring polymers at θ L: 3-body interactions dominating regime, the crossover regime, and the topological constraints dominating regime.

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Authors and Affiliations

  1. State Key Laboratory of Polymer Physics and Chemistry, Chinese Academy of Sciences, Changchun, 130022, China

    Bing Li, Zhaoyan Sun, Lijia An & Zhen-Gang Wang

  2. Changchun Institute of Applied Chemistry, Chinese Academy of Sciences, Changchun, 130022, China

    Bing Li, Zhaoyan Sun, Lijia An & Zhen-Gang Wang

  3. University of Chinese Academy of Sciences, Beijing, 100039, China

    Bing Li, Zhaoyan Sun, Lijia An & Zhen-Gang Wang

  4. Division of Chemistry and Chemical Engineering, California Institute of Technology, California, 91125, USA

    Zhen-Gang Wang

Authors
  1. Bing Li
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  2. Zhaoyan Sun
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  3. Lijia An
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  4. Zhen-Gang Wang
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Corresponding authors

Correspondence to Zhaoyan Sun or Zhen-Gang Wang.

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Li, B., Sun, Z., An, L. et al. The scaling behavior of the second virial coefficient of linear and ring polymer. Sci. China Chem. 59, 619–623 (2016). https://doi.org/10.1007/s11426-015-5531-6

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  • DOI: https://doi.org/10.1007/s11426-015-5531-6

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