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Computational Chemistry on Internal Structures and Rheological Properties of Functional Colloids in Non-equilibrium Fields

Research Project

Project/Area Number 15550126
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Functional materials chemistry
Research InstitutionAkita Prefectural University

Principal Investigator

SATOH Akira  Akita Prefectural University, Faculty of Systems Science and Technology, Professor, システム科学技術学部, 教授 (50211941)

Co-Investigator(Kenkyū-buntansha) AOSHIMA Masayuki  Akita Prefectural University, Faculty of Systems Science and Technology, Research Associate, システム科学技術学部, 助手 (20315625)
Project Period (FY) 2003 – 2004
Project Status Completed (Fiscal Year 2004)
Budget Amount *help
¥2,100,000 (Direct Cost: ¥2,100,000)
Fiscal Year 2004: ¥300,000 (Direct Cost: ¥300,000)
Fiscal Year 2003: ¥1,800,000 (Direct Cost: ¥1,800,000)
KeywordsFerromagnetic Colloidal Dispersions / Stokesian Dynamics Methods / Aggregation Phenomena / Rheological Properties / Mean Field Approximation / Dissipative Particle Dynamics
Research Abstract

(1) We have discussed the cluster-based Stokesian dynamics method for non-dilute colloidal dispersions. The cluster-based method can drastically reduce the computation time, and, therefore, it is significantly superior to the ordinary SD method for ferromagnetic colloidal dispersions.
(2) We have investigated the validity of the dissipative particle dynamics method, which is a mesoscopic simulation technique. We have derived expressions for transport coefficients such as viscosity, from the equation of motion of the dissipative particles. It is clarified from non-equilibrium dynamics simulations that the theoretical values of the viscosity due to dissipative forces are in good agreement with the simulation results obtained by the non equilibrium dynamics method, except in the range of small number densities and, therefore, that the present method is a hopeful technique for taking into account hydrodynamic interactions among colloidal particles.
(3) We have also investigated the validity … More of the dissipative particle dynamics method for a dispersion composed of magnetic and dissipative particles. Various models as an interaction between these two different particles have been discussed and we have a conclusion that results are not significantly dependent on the interaction model.
(4) We have theoretically investigated the particle orientational distribution and viscosity of a dense colloidal dispersion composed of ferromagnetic spherocylinder particles under circumstances of an applied magnetic field. The mean field approximation has been applied to take into account the magnetic interactions of the particle of interest with the other ones which belong to the neighboring clusters, besides its own cluster. It is clarified from solving the basic equation of the orientational distribution function, which is an integro-differential equation, by Galerkin's method and the method of successive approximation that, even when the magnetic interaction between particles is of the order of the thermal energy, the effect of particle-particle interactions on the viscosity comes to increase more significantly with increasing the volumetric fraction of particles. Less

Report

(3 results)
  • 2004 Annual Research Report   Final Research Report Summary
  • 2003 Annual Research Report
  • Research Products

    (32 results)

All 2005 2004 2003 Other

All Journal Article (22 results) Book (4 results) Publications (6 results)

  • [Journal Article] 強磁性棒状粒子からなる分散系の粒子の配向特性と粘度に及ぼすクラスタ間の相互作用の影響(平均場近似によるせん断流を対象として解析)2005

    • Author(s)
      佐藤 明
    • Journal Title

      日本機械学会論文集(B編) 71巻

      Pages: 487-495

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Comparison between Theoretical Values and Simulation Results of Viscosity for the Dissipative Particle Dynamics Method2005

    • Author(s)
      Akira Satoh
    • Journal Title

      Journal of Colloid and Interface Science Vol.283

      Pages: 251-266

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Influence of Cluster-Cluster Interactions on Particle Orientational Characteristics and Viscosity of a Colloidal Dispersion composed of Ferromagnetic Spherocylinder Particles (Analysis by Means of Mean Field Approximation for a Simple Shear Flow)2005

    • Author(s)
      Satoh, A.
    • Journal Title

      Transactions of the Japan Society of Mechanical Engineers Vol.71 No.702

      Pages: 487-495

    • NAID

      110005051428

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Comparison between Theoretical Values and Simulation Results of Viscosity for the Dissipative Particle Dynamics Method2005

    • Author(s)
      Satoh, A.
    • Journal Title

      Journal of Colloid and Interface Science Vol.283

      Pages: 251-266

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Comparison between Theoretical Values and Simulation Results of Viscosity for the Dissipative Particle Dynamics Method2005

    • Author(s)
      Satoh, Akira
    • Journal Title

      Journal of Colloid and Interface Science Vol.262

      Pages: 251-266

    • Related Report
      2004 Annual Research Report
  • [Journal Article] 単純せん断流中における強磁性棒状粒子からなる非希釈コロイド分散系の配向分布とレオロジー特性(せん断流と外部磁場の方向が同一である場合の平均場近似を用いた解析)2004

    • Author(s)
      渡辺知規
    • Journal Title

      日本機械学会論文集(B編) 70巻

      Pages: 657-664

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 散逸粒子動力学法における輸送係数の理論値とシミュレーション値との比較検討(第1報,散逸粒子の運動方程式と輸送係数の理論解との関係)2004

    • Author(s)
      佐藤 明
    • Journal Title

      日本機械学会論文集(B編) 70巻

      Pages: 1473-1480

    • NAID

      110004999487

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 散粒子動力学法における輸送係数の理論値とシミュレーション値との比較検討(第2報,非平衡動力学シミュレーションによる計算)2004

    • Author(s)
      佐藤 明
    • Journal Title

      日本機械学会論文集(B編) 70巻

      Pages: 1657-1664

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 粒子径分布を考慮した強磁性コロイド分散系の凝集構造に関する2次元モンテカルロ・シミュレーション(外部磁場が作用する場合)2004

    • Author(s)
      青島政之
    • Journal Title

      化学工学論文集 30巻

      Pages: 771-777

    • NAID

      130000018671

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Orientational Distributions and Rheological Properties of a Ferromagnetic Spherocylinder Particles subjected to a Simple Shear Flow (Analysis by Means of Mean-Field Approximation for the Magnetic Field Direction Parallel to the Shear Flow)2004

    • Author(s)
      Watanabe, T.
    • Journal Title

      Transactions of the Japan Society of Mechanical Engineers Vol.70 No.691

      Pages: 657-664

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Comparison between Theoretical Values and Simulation Results of Transport Coefficients for the Dissipative Particle Dynamics Method (1st Report, Relationship between the Equation of Motion of Dissipative Particles and the Theoretical Solution of Transport Coefficients)2004

    • Author(s)
      Satoh, A.
    • Journal Title

      Transactions of the Japan Society of Mechanical Engineers Vol.70 No.694

      Pages: 1473-1480

    • NAID

      110004999487

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Comparison between Theoretical Values and Simulation Results of Transport Coefficients for the Dissipative Particle Dynamics Method (2nd Report, Calculation by Means of Non-Equilibrium Dynamics)2004

    • Author(s)
      Satoh, A.
    • Journal Title

      Transactions of the Japan Society of Mechanical Engineers Vol.70 No.695

      Pages: 1657-1664

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Two-dimensional Monte Carlo Simulations of a Colloidal Dispersion Composed of Polydisperse Ferromagnetic Particles in an Applied Magnetic Field2004

    • Author(s)
      Aoshima, M.
    • Journal Title

      Kagaku Kougaku Ronbunshu (Japanese Journal of Chemical Engineering) Vol.30 No.6

      Pages: 771-777

    • NAID

      130000018671

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 単純せん断流中における強磁性棒状粒子からなる非希釈コロイド分散系の配向分布とレオロジー特性(せん断流と外部磁場の方向が同一である場合の平均場近似を用いた解析)2004

    • Author(s)
      渡辺 知規
    • Journal Title

      日本機械学会論文集(B編) 70巻・691号

      Pages: 657-664

    • Related Report
      2004 Annual Research Report
  • [Journal Article] 散逸粒子動力学法における輸送係数の理論値とシミュレーション値との比較検討(第1報,散逸粒子の運動方程式と輸送係数の理論解との関係)2004

    • Author(s)
      佐藤 明
    • Journal Title

      日本機械学会論文集(B編) 70巻・694号

      Pages: 1473-1480

    • NAID

      110004999487

    • Related Report
      2004 Annual Research Report
  • [Journal Article] 散粒子動力学法における輸送係数の理論値とシミュレーション値との比較検討(第2報,非平衡動力学シミュレーションによる計算)2004

    • Author(s)
      佐藤 明
    • Journal Title

      日本機械学会論文集(B編) 70巻・695号

      Pages: 1657-1664

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Rheological Properties and Particle Behaviors of a Non-dilute Colloidal Distribution composed of Ferromagnetic Spherocylinder Particles subjected to a Simple Shear Flow (Analysis by Means of Mean Field Approximation)2003

    • Author(s)
      Akira Satoh
    • Journal Title

      Journal of Colloid and Interface Science Vol.262

      Pages: 263-273

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 粒子径分布を考慮した強磁性コロイド分散系の凝集構造に関する2次元モンテカルロ・シミュレーション(外部磁場が作用しない場合)2003

    • Author(s)
      青島政之
    • Journal Title

      化学工学論文集 29巻

      Pages: 646-652

    • NAID

      80016210469

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] 磁場・電場を考慮した微粒子分散系(磁性流体,ER流体,MRサスペンション)2003

    • Author(s)
      佐藤 明
    • Journal Title

      粉体工学会誌 40巻

      Pages: 524-533

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Rheological Properties and Particle Behaviors of a Non-dilute Colloidal Distribution composed of Ferromagnetic Spherocylinder Particles subjected to a Simple Shear Flow (Analysis by Means of Mean Field Approximation)2003

    • Author(s)
      Satoh, A.
    • Journal Title

      Journal of Colloid and Interface Science Vol.262

      Pages: 263-273

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Two-dimensional Monte Carlo Simulations of a Colloidal Dispersion Composed of Polydisperse Ferromagnetic Particles (For the Case of no External Magnetic Field)2003

    • Author(s)
      Aoshima, M.
    • Journal Title

      Kagaku Kougaku Ronbunshu (Japanese Journal of Chemical Engineering) Vol.29 No.5

      Pages: 646-652

    • NAID

      80016210469

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Journal Article] Particle Dispersions under Electric and Magnetic Fields2003

    • Author(s)
      Satoh, A.
    • Journal Title

      Funtai Kougaku Kaishi (Japanese Journal of Powder Technology) Vol.40

      Pages: 524-533

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] HOW TO分子シミュレーション-分子動力学法,モンテカルロ法,ブラウン動力学法,散逸粒子動力学法-2004

    • Author(s)
      佐藤 明
    • Total Pages
      171
    • Publisher
      共立出版
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] Introduction to Molecular Simulation with Sample Simulation Programs2004

    • Author(s)
      Satoh, A.
    • Total Pages
      171
    • Publisher
      Kyoritsu Shuppan, Tokyo
    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] Introduction to Molecular-Microsimulation of Colloidal Dispersions2003

    • Author(s)
      Akira Satoh
    • Total Pages
      344
    • Publisher
      Elsevier Science
    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Book] Introduction to Molecular-Microsimulation of Colloidal Dispersions2003

    • Author(s)
      Satoh, A.
    • Total Pages
      344
    • Publisher
      Elsevier, Amsterdam
    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2004 Final Research Report Summary
  • [Publications] Akira Satoh: "Rheological Properties and Particle Behaviors of a Non-dilute Colloidal Distribution composed of Ferromagnetic Spherocylinder Particles subjected to a Simple Shear Flow (Analysis by Means of Mean Field Approximation)"Journal of Colloid and Interface Science. Vol.262. 263-273 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 青島政之, 佐藤 明: "粒子径分布を考慮した強磁性コロイド分散系の凝集構造に関する2次元モンテカルロ・シミュレーション(外部磁場が作用しない場合)"化学工学論文集. 29・5. 646-652 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 佐藤 明: "磁場・電場を考慮した微粒子分散系(磁性流体,ER流体,MRサスペンション)"粉体工学会誌. 40・7. 524-533 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] 佐藤 明, 間島 保: "散逸粒子動力学法における輸送係数の理論値とシミュレーション値との比較検討(第1報、散逸粒子の運動方程式と輸送係数の理論解との関係)"日本機械学会論文集、B編. (掲載予定). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] 佐藤 明, 間島 保: "散逸粒子動力学法における輸送係数の理論値とシミュレーション値との比較検討(第2報、非平衡動力学シミュレーションによる計算)"日本機械学会論文集、B編. (掲載予定). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Akira Satoh: "Introduction to Molecular-Microsimulation of Colloidal Dispersions"Elsevier Science. 344 (2003)

    • Related Report
      2003 Annual Research Report

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Published: 2003-04-01   Modified: 2016-04-21  

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