Dynamical theories on inhomogeneous polymer systems ranging from the microscopic to macroscopic scales

2008 Fiscal Year Self-evaluation Report

• Project Area: Creation of non-equilibrium soft matter physics: Structure and dynamics of mesoscopic systems
• Project/Area Number: 18068002
• Research Category: Grant-in-Aid for Scientific Research on Priority Areas
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Tohoku University
• Principal Investigator: KAWAKATSU Toshihiro Tohoku University, 大学院・理学研究科, 教授 (20214596)
• Project Period (FY): 2006 – 2010
• Keywords: ソフトマター / 高分子 / 粘弾性 / 相分離 / 自己無撞着場理論 / 粗視化モデル

Research Abstract

非平衡ソフトマター系の代表的な例のひとつが高分子多相系である。この系の特徴は、相分離や動的の不安定性によって誘発される空間的な不均一構造を持つことにある。高分子多相系のマクロな流動特性を決める要因は、ミクロスケールの鎖の動力学(鎖の伸縮や絡み合い、鎖のネットワークなど)だけではなく、相分離の界面や分散粒子の表面などのメソスケールの構造と運動も重要な要因である。このように、高分子系においては多数の階層にまたがる現象が複雑に絡まり合っており、その現象を理解するためには、多階層のモデル化とそれらの融合が必要である。本研究計画においては、高分子のメソスケールの不均一構造を鎖の構造のレベルから導き出すことのできる理論体系として密度汎関数理論(自己無撞着場(SCF)理論および Ginzburg-Landau(GL)理論)を中心に据え、鎖のミクロな動力学の分子モデルや液晶性高分子のモデルなどと組み合わせることで、高分子系のマクロな流動特性や相分離構造のダイナミクスを予想するスキームを完成させることを目的として研究を行っている。

Research Products

• [Journal Article] Pattern Formation of Block Copolymers Undergoing Polymerization (2008)
  • Author(s): Y. Ida, T. Kawakatsu, R. Motokawa, S. Koizumi, and T. Hashimoto
  • Journal Title: Macromolecules 41(No.24) Pages: 9722-9726
  • Peer Reviewed
• [Journal Article] Hydrodynamic Effects on the Disorder to Order Transitions of Diblock Copolymer Melts (2008)
  • Author(s): T. Honda and T. Kawakatsu
  • Journal Title: J. Chem. Phys. 129 (No.11) Pages: 114904-1 - 114904-8
  • Peer Reviewed
• [Journal Article] Three-dimensional Visualization of a Single Block Copolymer in Lamellar Nanodomains (2008)
  • Author(s): H. Morita, T. Kawakatsu, M. Doi, T. Nishi, and H. Jinnai
  • Journal Title: Macromolecules 41 (No.13) Pages: 4845-4849
  • Peer Reviewed
• [Journal Article] Kinetic Pathway of Gyroid-to-Cylinder Transition in Diblock Copolymer Melt under Electric Field (2007)
  • Author(s): D.Q.Ly, T. Honda, T. Kawakatsu, and A.V. Zvelindovsky
  • Journal Title: Macromolecules 40, (No.8) Pages: 2928-2935
  • Peer Reviewed
• [Journal Article] Hybrid Dynamic Density Functional Theory for Polymer Melts and Blends (2007)
  • Author(s): T. Honda and T. Kawakatsu
  • Journal Title: Macromolecules 40, (No.4) Pages: 1227-1237
  • Peer Reviewed
• [Presentation] Development of Dynamic Density Functional Theories of Multiphase Dense Polymeric Systems (2008)
  • Author(s): T.Kawakatsu
  • Organizer: IMA Annual Program Year Workshop: Development and Analysis of Multiscale Methods, Institute for Mathematics and its Applications (IMA)
  • Place of Presentation: University of Minnesota, Minneapolis, U.S.A.
  • Year and Date: 2008-11-06
• [Presentation] Dynamics and rheology of phase transitions in polymer systems (2008)
  • Author(s): Dung Q. Ly, T. Hondai, T. Kawakatsu, and A.V. Zvelindovsky
  • Organizer: International Symposium on Non-Equilibrium Soft Matter
  • Place of Presentation: Shiran Kaikan, Kyoto, Japan.
  • Year and Date: 2008-06-05
• [Presentation] Dynamic Self-Consistent Field Theory for Dense Polymer Systems under External Fields and Constraints (2008)
  • Author(s): T. Honda, T. Kawakatsu, and A.V. Zvelindovsky
  • Organizer: Workshop on Multiscale Modeling of Complex Fluids
  • Place of Presentation: Beijing, P.R. China
  • Year and Date: 2008-05-30
• [Presentation] Dynamical Simulations on Morphological Transitions of Block Copolymers (2007)
  • Author(s): T. Honda, D.Q. Ly, A.V. Zvelindovsky, and T. Kawakatsu
  • Organizer: Mesoscale Modelling for Complex Fluids and Flows
  • Place of Presentation: Oxford, United Kingdom
  • Year and Date: 2007-06-26
• [Presentation] Mesoscopic Modelling of Block Copolymers: Structural Phase Transition between Gyroid and Others (2006)
  • Author(s): T. Kawakatsu
  • Organizer: BSR (The British Society of Rheology) 2006 Annual Meeting "Dynamics of Biofluids and Biomaterials
  • Place of Presentation: Manchester, United Kingdom.
  • Year and Date: 2006-12-11
• [Book] "Computer simulations on nano-scale phenomena based on the dynamic density functional theory. Applications of SUSHI in OCTA system "; in "Nanostructured Soft Matter", A.V.Zvelindovsky, ed. (2007)
  • Author(s): T.Honda and T.Kawaktsu
  • Total Pages: 461-493
  • Publisher: Springer-Verlag, Berlin