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Reconstruction of the Reptation Theory Based on the Dual Slip-Link Model

Research Project

Project/Area Number 13450390
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field 高分子構造・物性(含繊維)
Research InstitutionNagoya University

Principal Investigator

DOI Masao  Nagoya University, Graduate School of Engineering, Professor, 大学院・工学研究科, 教授 (70087104)

Co-Investigator(Kenkyū-buntansha) KAWAKATSU Toshihiro  Tohoku University, Graduate School of Science, Professor, 大学院・理学研究科, 教授 (20214596)
MASUBUCHI Yuichi  Nagoya University, Graduate School of Engineering, Assistant Professor, 大学院・工学研究科, 助手 (40291281)
TAKIMOTO Junichi  Nagoya University, Graduate School of Engineering, Associate Professor, 大学院・工学研究科, 助教授 (50261714)
TANIGUCHI Takashi  Yamagata University, Faculty of Engineering, Associate Professor, 工学部, 助教授 (60293669)
Project Period (FY) 2001 – 2003
Project Status Completed (Fiscal Year 2003)
Budget Amount *help
¥7,400,000 (Direct Cost: ¥7,400,000)
Fiscal Year 2003: ¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 2002: ¥2,500,000 (Direct Cost: ¥2,500,000)
Fiscal Year 2001: ¥2,800,000 (Direct Cost: ¥2,800,000)
Keywordsrentation theory / polymer modeling / self-diffusion of polymer / polymer brush / 高分子レオロジー / 分岐高分子 / 自己拡散定数 / 伸張粘度 / 多分散系のレオロジー予測 / スリップリンク模型 / 星形高分子 / 誘電緩和
Research Abstract

We have proposed a new model, called the dual slip-link model, to describe the viscoelasticity of entangled polymers. It is a new extension of the classical reptation model. In the reptation model, the entanglement constraint is represented by a slip-link through which the polymer can pass. In the classical reptation model, the slip link confines a single polymer, and its position is fixed to the material. In the dual slip-link model, the slip-link confine a pair of chains, and its position is determined by the dynamics of the polymers. The dual slip-link model can take into account of the interaction between the entangled polymers, and can predict the dynamics of the polydisperse systems.
We have implemented the dual slip-link model into a simulator. There are two versions for the simulator. In the first version, the slip-links are assumed to be fixed to the material: the interaction between the chains is taken into account only through the fact that the slip-link is destructed when one of the two chains constrained by the slip-link disengage the slip-link by reptation. In the second version, the position of the slip-links are determined by solving the equation of motion for the position of the slip-links. The first version is simpler and faster than the second version, but cannot take into account the fluctuation of the entanglement effect. For linear polymers, both version give nearly the same results, while the difference between the model become 'significant for branched polymers. Both programs are placed on the public domain at http://octa.jp.

Report

(4 results)
  • 2003 Annual Research Report   Final Research Report Summary
  • 2002 Annual Research Report
  • 2001 Annual Research Report
  • Research Products

    (34 results)

All Other

All Publications (34 results)

  • [Publications] 増渕雄一: "高分子からみあい系分子ダイナミクス高速計算手法NAPLES"CICSJ Bulletin. 20(No.17). 88-89 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Hisahiro Ito, Masao Doi, Takeharu Isaki, Masaaki Takeo: "A Model of Neck-in Phenomena in Film Casting Process"J.Soc.Rheol.Jpn. 31. 157-163 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Hisahiro Ito, Masao Doi, Takeharu Isaki, Masaaki Takeo, Kazuo Yagi: "2DFlow Analysis of Film Casting Proces"J.Soc.Rheol.Jpn. 31. 149-155 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Masao Doi, Jun-ichi Takimoto: "Masao Doi and Jun-ichi Takimoto"Phil.Trans.Roy Soc Lond A. 361. 641-652 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] T.Shima, H.Kuni, Y.Okabe, M.Doi, X-F.Yuan, T.Kawakatsu: "Self-consistent field theory of viscoelastic behaviour of inhomogeneous dense polymer systems"Macromolecules. 36(No.24). 9199-9240 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Y.Masubuchi, M.Doi, G.Ianniruberto, F.Greco, G.Marrucci: "Primitive Chain Network Simulation of Entangled Polymers under Large Deformations"Advanced Polymer Processing, Iwakura Ed., Yonezawa. 30-35 (2003)

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] M.Sugimoto, Y.Masubuchi, J.Takimoto, K.Koyama: "Melt Rheology of Polypropylene Containing Small Amounts of High-Molecular-Weight Chain. Uniaxial and Biaxial Extensional Flow"Macromolecules. 34(No.17). 6056 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] S.Shanbhag, R.G.Larson, J.Takimoto, M.Doi: "Deviations from Dynamic Dilution in the Terminal Relaxation of Star Polymers"Phys.Rev.Lett. 87(No.19). 5502 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Y.Masubuchi, J.Takimoto, K.Koyama, G.Ianniruberto, F.Greco, G.Marrucci: "Brownian Simulations of a Network of Reptating Primitive Chains"J.Chem.Phys. 115(No.9). 4387-4394 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] M.Sugimoto, Y.Masubuchi, J.Takimoto, K.Koyama: "Melt Rheology of Polypropylene Containing Small Amounts of High-Molecular-Weight Chain. Uniaxial and Biaxial Extensional Flow"Macromolecules. 34(No.17). 6056-6063 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] M.Sugimoto, Y.Masubuchi, J.Takimoto, K.Koyama: "Melt Rheology of Polypropylene Containing Small Amounts of High-Molecular-Weight Chain. Shear Flow"J.Polym.Sci.B Polym.Phys. 39(No.21). 2692-2704 (2001)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] T.Aoyagi, T.Honda, M.Doi: "Microstructural study of mechaniacal properties of the ABA triblock copolymer using self-consistent field and molecular dynamics"J.Chem.Phys. 117. 8153-8161 (2002)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Hisahiro Ito, Masao Doi, Takeharu Isaki, Masaaki Takeo: "A Model of Neck-in Phenomena in Film Casting Process"J.Soc.Rheol.Jpn. 31. 157-163 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Hisahiro Ito, Masao Doi, Takeharu Isaki, Masaaki Takeo, Kazuo Yagi: "2DFlow Analysis of Film Casting Process"J.Soc.Rheol.Jpn. 31. 149-155 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Masao Doi, Jun-ichi Takimoto: "Molecular modeling of entanglement"Phil.Trans.Roy Soc Lond A. 301. 641-652 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] T.Shima, H.Kuni, Y.Okabe, M.Doi, X-F.Yuan, T.Kawakatsu: "Self-consistent field theory of viscoelastic behavior of inhomogeneous dense polymer systems"Macromolecules. 36(No.24). 9199-9204 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Y.Masubuchi, G.Ianniruberto, F.Greco, G.Marrucci: "Entanglement molecular weight and frequency response of sliplink networks"J.Chem.Phys. 119. 6925-6930 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] Y.Masubuchi, M.Doi, G.Ianniruberto, F.Greco, G.Marrucci: "Primitive Chain Network Simulation of Entangled Polymers under Large Deformations"Advanced Polymer Processing(Iwakura Ed.)(Yonezawa). 30-35 (2003)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2003 Final Research Report Summary
  • [Publications] 増渕雄一: "高分子からみあい系分子ダイナミクス高速計算手法NAPLES"CICSJ Bulletin. 20(No.17). 88-89 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Hisahiro Ito, Masao Doi, Takeharu Isaki, Masaaki Takeo: "A Model of Neck-in Phenomena in Film Casting Process"J.Soc.Rheol.Jpn. 31. 157-163 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Hisahiro Ito, Masao Doi, Takeharu Isaki, Masaaki Takeo, Kazuo Yagi: "2DFlow Analysis of Film Casting Process"J.Soc.Rheol.Jpn. 31. 149-155 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Masao Doi, Jun-ichi Takimoto: "Molecular modeling of entanglement"Phil.Trans.Roy Soc Lond A. 361. 641-652 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Shima, H.Kuni, Y.Okabe, M.Doi, X-F.Yuan, T.Kawakatsu: "Self-consistent field theory of viscoelastic behaviour of inhomogeneous dense polymer systems"Macromolecules. 36(No.24). 9199-9240 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Y.Masubuchi, G.Ianniruberto, F.Greco, G.Marrucci: "Entanglement molecular weight and frequency response of sliplink networks"J.Chem.Phys. 119. 6925-6930 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Y.Masubuchi, M.Doi, G.Ianniruberto, F.Greco, G.Marrucci: "Primitive Chain Network Simulation of Entangled Polymers under Large Deformations"Advanced Polymer Processing, Iwakura Ed., Yonezawa. 30-35 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] Takeshi Aoyagi: "A General-purpose coarse-grained molecular dynamics program"Computer Physics Communications. 145. 267-279 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Hiroshi Morita: "Competition between Micro-and Macrophase Separations in a Binary Mixture of Block Copolymers. A Dynamic Density Functional Study"Macromolecules. 35. 7473-7480 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Kenji Furuichi: "Relaxation of a tethered polymer using dynamic mean field calculation"JOURNAL OF CHEMICAL PHYSICS. 117No.21. 9959-9960 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Takeshi Aoyagi: "Microstrructural Study of mechanical properties of the ABA triblock Copolymer using self-consistent field and molecular dynamics"JOURNAL OF CHEMICAL PHYSICS. 117No.17. 8153-8161 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Yuichi Masubuchi: "Primitive Chain Network Simulation of Entangled Polymers under Large Defromations"Advanced Polymers and Processing, ed K.Iwakura, Proceeding of ICAPP 2001. 30-35 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] Masao Doi: "Material modeling platform"Journal of Computational and Applied Mathematics. 149. 13-25 (2002)

    • Related Report
      2002 Annual Research Report
  • [Publications] S.Shanbhag: "Deviations from Dynamic Dilution in the Terminal Relaxation of Star Polymers"Phys. Rev. Lett.. 87・19. 195502-1-195502-4 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] H. Tasaki: "Prediction of the rheological properties of polymers using a stoc hastic simulation"Elsevier. 142. 136-139 (2001)

    • Related Report
      2001 Annual Research Report
  • [Publications] T.Aoyagi: "COGNAC:A General Purpose Coarse Grained Molecular Dynamics Program"in press.

    • Related Report
      2001 Annual Research Report

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Published: 2001-04-01   Modified: 2016-04-21  

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