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Investigation for absorption of solutes in polymers under supercritical carbon dioxide conditions

Research Project

Project/Area Number 17K06894
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Properties in chemical engineering process/Transfer operation/Unit operation
Research InstitutionKyushu University

Principal Investigator

Iwai Yoshio  九州大学, 工学研究院, 准教授 (80176528)

Co-Investigator(Kenkyū-buntansha) 米澤 節子  九州大学, 工学研究院, 准助教 (50294898)
Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2019: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2018: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2017: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
Keywords拡散係数 / 超臨界二酸化炭素 / 高分子 / 紫外可視分光法 / ポリメタクリル酸メチル / アントラキノン誘導体 / 分子シミュレーション / 相平衡 / 超臨界流体含浸法 / ポリマー / アントラキノン / 化学工学 / 複合材料・物性 / 物性実験 / 超臨界流体
Outline of Final Research Achievements

The diffusion coefficients of anthraquinone derivatives in poly(methyl methacrylate) were measured in supercritical carbon dioxide conditions using a newly fabricated apparatus. The dependence of the diffusion coefficients on temperature, pressure and solute type was clarified. The measured diffusion coefficients can be correlated well by a free volume model. Molecular dynamics simulations were used to calculate the molecular trajectories and diffusion coefficients of polyethylene + carbon dioxide + solute system, and it was confirmed that the diffusion of carbon dioxide and solute was progressed by the repetition of stagnation in the voids and jumping motions to neighboring voids. It is shown that the new activity coefficient equation can correlate phase equilibria with high accuracy.

Academic Significance and Societal Importance of the Research Achievements

超臨界二酸化炭素を用いた応用技術としてポリマーに溶質を含浸させるという操作があり、超臨界二酸化炭素含浸法と呼ばれる。この超臨界二酸化炭素含浸法を合理的に行うためには、超臨界二酸化炭素雰囲気下におけるポリマーに対する溶質の収着現象を解明することが必要となるが、既往の研究は非常に少ないのが現状であった。
本研究では、新しく作製した測定装置によりデータを蓄積して各種の依存性を明らかにしたとともに、分子動力学法および自由体積モデルにより拡散係数を計算をし、新しい活量係数式により相平衡を計算し、超臨界二酸化炭素含浸法を合理的に行うための有用な知見を得た。

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (13 results)

All 2020 2019 2018 2017

All Journal Article (1 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 1 results) Presentation (12 results) (of which Int'l Joint Research: 7 results,  Invited: 2 results)

  • [Journal Article] Correlation of phase equilibria by new activity coefficient model2019

    • Author(s)
      Yoshio Iwai, Ryosuke Seki, Yoshihiro Tanaka
    • Journal Title

      Fluid Phase Equilibria

      Volume: 488 Pages: 62-71

    • DOI

      10.1016/j.fluid.2019.01.023

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] 超臨界二酸化炭素雰囲気下におけるポリメタクリル酸メチル中のアントラキノン誘導体の拡散係数2020

    • Author(s)
      上田 航也、西山 開、岩井 芳夫
    • Organizer
      第22回化学工学会学生発表会(岡山大会)
    • Related Report
      2019 Annual Research Report
  • [Presentation] 新しい活量係数モデルを用いたグループ寄与法による相平衡の推算2020

    • Author(s)
      竹尾 愛、岩井 芳夫、栃木 勝己
    • Organizer
      第22回化学工学会学生発表会(岡山大会)
    • Related Report
      2019 Annual Research Report
  • [Presentation] Application of new activity coefficient model to systems which are difficult to correlate2019

    • Author(s)
      Yoshio Iwai, Yujiro Sakurada, Shoya Goto
    • Organizer
      15th International Conference on Properties and Phase Equilibiria for Product and Process Design
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] New activity coefficient model for correlation and prediction of phase equilibria2019

    • Author(s)
      Yoshio Iwai
    • Organizer
      Asian Pacific Confederation of Chemical Engineering Congress 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Measurement and correlation of diffusion coefficients of anthraquinone in poly (methyl methacrylate) under supercritical carbon dioxide2019

    • Author(s)
      Kai Nishiyama, Sota Nakaji, Yoshio Iwai
    • Organizer
      The 32th International Symposium on Chemical Engineering
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 新しい活量係数モデルのグループ寄与法への適用2019

    • Author(s)
      岩井芳夫, 櫻田裕次郎
    • Organizer
      化学工学会第84年会
    • Related Report
      2018 Research-status Report
  • [Presentation] Correlation of vapor-liquid equilibria for binary systems by EoS-GE with new activity coefficient model2018

    • Author(s)
      Yoshio Iwai, Yoshihiro Tanaka
    • Organizer
      30th ESAT 2018 - European Symposium on Applied Thermodynamics
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Correlation of phase equilibria by new activity coefficient model2018

    • Author(s)
      Yoshio Iwai, Ryosuke Seki, Yoshihiro Tanaka
    • Organizer
      8th International Symposium on Molecular Thermodynamics and Molecular Simulation
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 超臨界二酸化炭素雰囲気下における溶融ポリエチレン中の溶質の拡散係数の分子動力学法による計算2018

    • Author(s)
      中路 颯太, 前田 旭慶, 米澤 節子, 岩井 芳夫
    • Organizer
      化学工学会第50回秋季大会
    • Related Report
      2018 Research-status Report
  • [Presentation] 相関が難しい系における新しい活量係数モデルの適用性の検討2018

    • Author(s)
      櫻田 裕次郎, 岩井 芳夫
    • Organizer
      化学工学会第50回秋季大会
    • Related Report
      2018 Research-status Report
  • [Presentation] Molecular dynamics simulation of vapor-liquid equilibria for hexane + ethanol system with Lennard-Jones + dipole interaction potential2018

    • Author(s)
      Yuta Mekata, Yoshio Iwai
    • Organizer
      31th International Symposium on Chemical Engineering
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Calculation of diffusion coefficients of carbon dioxide and nitrogen in molten polyethylene by molecular dynamics simulation2017

    • Author(s)
      Sota Nakaji, Yoshio Iwai
    • Organizer
      30th International Symposium on Chemical Engineering
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research

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Published: 2017-04-28   Modified: 2021-02-19  

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