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Measurement and prediction of diffusion coefficients of metallic complexes in supercritical carbon dioxide at high temperatures

Research Project

Project/Area Number 17K06898
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 InstitutionChuo University

Principal Investigator

Funazukuri Toshitaka  中央大学, 理工学部, 教授 (60165454)

Co-Investigator(Kenkyū-buntansha) 孔 昌一  静岡大学, 工学部, 教授 (60334637)
Project Period (FY) 2017-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2019: ¥390,000 (Direct Cost: ¥300,000、Indirect Cost: ¥90,000)
Fiscal Year 2018: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2017: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords拡散係数 / 超臨界流体 / 測定 / 二酸化炭素 / 金属錯体 / 化学工学
Outline of Final Research Achievements

Using the CIR method, the diffusion coefficients of various metal complexes were measured in scCO2 in a high temperature range of 100 to 150 °C. Even in the high temperature region, the diffusion coefficient could be well correlated by the hydrodynamic correlation equation in the liquid-like density region as seen in the low temperature region, but in the gas-like density region as seen in the high temperature region, it deviated greatly from the hydrodynamic equation. The lower the density, the larger the deviation. In this area, the estimation accuracy of the existing correlation equation is low, and it was found that the development of a new estimation model is necessary.
Since diffusion coefficient and viscosity, which are transport physical properties, are similar and often viscosity is involved in the estimation equation, we proposed an estimation method based on the Eyring model for estimating the viscosity of the high-pressure CO2 + organic solvent system.

Academic Significance and Societal Importance of the Research Achievements

超臨界流体を含む高圧流体、特に高温超臨界流体中の拡散係数は、装置設計や化学プロセスの最適化のためには不可欠な物性値であるが、その測定データや推算方法は、超臨界流体抽出プロセスの設計を念頭に置かれて測定されたもので、いずれも低温条件下に限られている。近年、超臨界流体堆積(SFD)法が新規な乾式のメッキ法として注目され、さかんに研究されているが、そのプロセス設計や最適化のために必要な高温超臨界流体中の拡散係数データはほとんど報告されていない。本研究は、高温超臨界流体中の拡散係数の測定データの蓄積を目的としたもので、既往の測定条件の空白を埋めるもので、学術的にも重要である。

Report

(5 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (39 results)

All 2021 2020 2019 2018 2017

All Journal Article (6 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 6 results) Presentation (32 results) (of which Int'l Joint Research: 13 results,  Invited: 4 results) Book (1 results)

  • [Journal Article] Measurements and correlation of diffusion coefficients of ibuprofen in both liquid and supercritical fluids2020

    • Author(s)
      C. Y. Kong, K. Sugiura, S. Natsume, J. Sakabe, T. Funazukuri, K. Miyake, I. Okajima, S. Badhulika, T. Sako
    • Journal Title

      The Journal of Supercritical Fluids

      Volume: 159 Pages: 111849-111849

    • DOI

      10.1016/j.supflu.2020.104776

    • Related Report
      2020 Annual Research Report 2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Estimation of kinematic viscosities for multi-component systems using modified Eyring and activity coefficient model2019

    • Author(s)
      H. Matsuda, K. Tochigi, K. Kurihara, T. Funazukuri, V. K. Rattan
    • Journal Title

      Fluid Phase Equilibria

      Volume: 492 Pages: 137-144

    • DOI

      10.1016/j.fluid.2019.03.017

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Estimation of kinematic viscosities at high pressures for binary mixtures CO2 + solvent using modified Eyring-Wilson and McAllister models2019

    • Author(s)
      H. Matsuda, K. Tochigi, K. Kurihara, T. Funazukuri, V. K. Rattan
    • Journal Title

      Molecular Physics

      Volume: 117 Issue: 23-24 Pages: 3913-3921

    • DOI

      10.1080/00268976.2019.1671618

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] The retention factors and partial molar volumes of ibuprofen at infinite dilution in supercritical carbon dioxide at T= (308.15, 313.15, 323.15, 333.15, 343.15 and 353.15) K2019

    • Author(s)
      C. Y. Kong, K. Sugiura, Kaito, T. Funazukuri, K. Miyake, I. Okajima, S. Badhulika, T. Sako
    • Journal Title

      Journal of Molecular Liquids

      Volume: 296 Pages: 111849-111849

    • DOI

      10.1016/j.molliq.2019.111849

    • Related Report
      2019 Research-status Report
    • Peer Reviewed
  • [Journal Article] Estimation of kinematic viscosities for CO2 expanded liquids by ASOG-VISCO model.2018

    • Author(s)
      H. Matsuda, K. Kurihara, K. Tochigi, T. Funazukuri, V. K. Rattan
    • Journal Title

      Fluid Phase Equilibria

      Volume: 470 Pages: 188-192

    • DOI

      10.1016/j.fluid.2018.01.033

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Concerning the determination and predictive correlation of diffusion coefficients in supercritical fluids and their mixtures2018

    • Author(s)
      Toshitaka Funazukuri
    • Journal Title

      The Journal of Supercritical Fluids

      Volume: 134 Pages: 28-32

    • DOI

      10.1016/j.supflu.2017.11.035

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Presentation] Taylor法による高圧CO2+hexane/methanol混合流体中のbenzeneの拡散係数の測定と相関2021

    • Author(s)
      小野寺 庸大、坂部 淳一、船造 俊孝、孔 昌一
    • Organizer
      化学工学会第86年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 高温領域における超臨界二酸化炭素中のPlatinum(Ⅱ)acetylacetonateの拡散係数の測定2021

    • Author(s)
      岩田 恵梨奈、小野寺 庸大、坂部 淳一、船造 俊孝、孔 昌一
    • Organizer
      化学工学会第86年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 異なる粘度の各種加圧流体中における脂質の拡散係数の測定2021

    • Author(s)
      采 国孝、勝間田 亘、岡島 いづみ、佐古 猛、船造 俊孝、孔 昌一
    • Organizer
      化学工学会第86年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] [学会賞]高圧流体の輸送物性の測定と推算2020

    • Author(s)
      船造俊孝
    • Organizer
      化学工学会第51回秋季大会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] CIR法を用いた高温領域における超臨界二酸化炭素中のPlatinum(Ⅱ)acetylacetonateの拡散係数の測定2020

    • Author(s)
      岩田 恵梨奈、小野寺 庸大、坂部 淳一、船造 俊孝、孔 昌一
    • Organizer
      化学工学会第51回秋季大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 動粘度および熱伝導率のASOG-VLEパラメータによる推定2020

    • Author(s)
      栃木 勝己、松田 弘幸、栗原 清文、船造 俊孝、ラターン ブイケー
    • Organizer
      化学工学会第51回秋季大会
    • Related Report
      2020 Annual Research Report
  • [Presentation] Taylor法による高圧二酸化炭素+hexane混合流体中のbenzeneの拡散係数の測定と推算2020

    • Author(s)
      小野寺 庸大, 坂部 淳一, 船造 俊孝, 孔 昌一
    • Organizer
      化学工学会第85年会
    • Related Report
      2019 Research-status Report
  • [Presentation] 動粘度および熱伝導率のASOG-VLEパラメータによる推定2020

    • Author(s)
      栃木 勝己, 松田 弘幸, 栗原 清文, 船造 俊孝, ラターン ブイケー
    • Organizer
      化学工学会第85年会
    • Related Report
      2019 Research-status Report
  • [Presentation] 量子化学計算から得られる分子体積を用いた相互拡散係数の推算法2020

    • Author(s)
      坂部淳一, 船造俊孝
    • Organizer
      化学工学会第85年会
    • Related Report
      2019 Research-status Report
    • Invited
  • [Presentation] 高圧流体の輸送物性の測定と推算2020

    • Author(s)
      船造俊孝
    • Organizer
      化学工学会第85年会
    • Related Report
      2019 Research-status Report
    • Invited
  • [Presentation] Correlation and prediction of kinematic viscosities for liquid mixtures using excess free energy model2019

    • Author(s)
      K. TOCHIGI, H. MATSUDA, K. KURIHARA, T. FUNAZUKURI, V. K. RATTAN
    • Organizer
      APCChE 2019
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Measurement and prediction of diffusion coefficients of phenol in mixture of carbon dioxide and methanol under high pressure condition by Taylor dispersion metho2019

    • Author(s)
      N. ONODERA, J. SAKABE, T. FUNAZUKURI, C. Y. KONG
    • Organizer
      APCChE 2019
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Correlation and prediction of high-pressure kinematic viscosities for CO2 + alkane liquid mixtures using modified Eyring + Gibbs free-energy models2019

    • Author(s)
      K. TOCHIGI, H MATSUDA, K. KURIHARA, T. TSUJI, T. FUNAZUKURI
    • Organizer
      APCChE 2019
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] Measurement and correlation of binary diffusion coefficients for metal complexes in high temperature supercritical carbon dioxide2018

    • Author(s)
      T. Funazukuri, M. Yamamoto, Y. Ohkubo, J. Sakabe, C. Y. Kong
    • Organizer
      12th International Symposium on Supercritical Fluids
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Correlations for binary diffusion coefficients of solutes in supercritical fluids and liquids using hydrodynamic equation with molecular volume2018

    • Author(s)
      J. Sakabe, T. Funazukuri
    • Organizer
      12th International Symposium on Supercritical Fluids
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Measurement of diffusion coefficients of vitamin K3 in mixture of CO2 and methanol over an entire range of methanol at 313.2 K up to 30 MPa2018

    • Author(s)
      R. Suzuki, J. Sakabe, T. Funazukuri, C. Y. Kong
    • Organizer
      8th International Symposium on Molecular Thermodynamics and Molecular Simulation
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Measurement of binary diffusion coefficient for Cr(acac)3 in high temperature region of supercritical carbon dioxide2018

    • Author(s)
      M. Yamamoto, J. Sakabe, T. Funazukuri, C. Y. Kong
    • Organizer
      8th International Symposium on Molecular Thermodynamics and Molecular Simulation
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Prediction of kinematic viscosities for ternary aqueous systems using modified Eyring and activity coefficient models2018

    • Author(s)
      H. Matsuda, K. Kurihara, T. Funazukuri, V. K. Rattan
    • Organizer
      8th International Symposium on Molecular Thermodynamics and Molecular Simulation
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Prediction of kinematic viscosities for ternary systems from binary data using Mcallister equation2018

    • Author(s)
      H. Matsuda, K. Tochigi, K. Kurihara, T. Funazukuri, V. K. Rattan
    • Organizer
      8th International Symposium on Molecular Thermodynamics and Molecular Simulation
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] 高圧CO2+Methanol混合流体中でのPhenolの無限希釈拡散係数の測定2018

    • Author(s)
      小野寺 庸大、坂部 淳一、船造 俊孝、孔 昌一
    • Organizer
      化学工学会第50季大会
    • Related Report
      2018 Research-status Report
  • [Presentation] Taylor法による高圧二酸化炭素+Methanol混合流体中でのPhenolの拡散係数の測定と推算2018

    • Author(s)
      小野寺 庸大、坂部 淳一、船造 俊孝、孔 昌一
    • Organizer
      化学工学会第84年会
    • Related Report
      2018 Research-status Report
  • [Presentation] 過剰自由エネルギーモデルによる輸送物性の相関と推算 ―動粘度、熱伝導率―2018

    • Author(s)
      栃木 勝己、松田 弘幸、栗原 清文、船造 俊孝、V. K. Rattan
    • Organizer
      化学工学会第84年会
    • Related Report
      2018 Research-status Report
  • [Presentation] CIR法による超臨界二酸化炭素中におけるイブプロフェンの相互拡散係数の測定2018

    • Author(s)
      夏目 晋吾、坂部 淳一、船造 俊孝、孔 昌一
    • Organizer
      化学工学会第83年会
    • Related Report
      2017 Research-status Report
  • [Presentation] 超臨界二酸化炭素中における溶質分子の相互拡散係数に対する溶質分子体積の影響2018

    • Author(s)
      坂部 淳一、船造 俊孝
    • Organizer
      化学工学会第83年会
    • Related Report
      2017 Research-status Report
  • [Presentation] CIR法を用いたscCO2中の高温領域におけるCr(acac)3の拡散係数の測定2017

    • Author(s)
      山本稔、坂部淳一、田口実、船造俊孝、孔昌一
    • Organizer
      分離技術会年会2017
    • Related Report
      2017 Research-status Report
  • [Presentation] 量子化学計算を利用した状態方程式による平衡物性推算2017

    • Author(s)
      坂部淳一、船造俊孝
    • Organizer
      分離技術会年会2017
    • Related Report
      2017 Research-status Report
  • [Presentation] Estimation of solubilities of Cr(acac)3 in supercritical carbon dioxide by supercritical fluid chromatography2017

    • Author(s)
      Minoru Yamamoto, Junichi Sakabe, Minori Taguchi, Toshitaka Funazukuri, Chang Yi Kong
    • Organizer
      SFC Asia 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Prediction of retention factors for chiral compounds by correlation with density in supercritical fluid chromatography2017

    • Author(s)
      Toshitaka Fuazukuri
    • Organizer
      SFC Asia 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] クロマトグラフィックインパルス応答法で測定される高温scCO2中でのCr(acac)3の拡散係数の有効性検討2017

    • Author(s)
      山本 稔、田口 実、坂部 淳一、船造 俊孝、孔 昌一
    • Organizer
      化学工学会第49回秋季大会
    • Related Report
      2017 Research-status Report
  • [Presentation] 高温超臨界二酸化炭素中の拡散係数についての推算式の有効性2017

    • Author(s)
      船造 俊孝、山本 稔、坂部 淳一、孔 昌一
    • Organizer
      化学工学会第49回秋季大会
    • Related Report
      2017 Research-status Report
  • [Presentation] Measurement of diffusion coefficients of chromium (III) acetylacetonate in supercritical carbon dioxide at high temperatures2017

    • Author(s)
      Minoru Yamamoto, Junichi Sakabe, Minoru Taguchi, Toshitaka Funazukuri
    • Organizer
      2017 AIChE Annual Meeting
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Measurements of molecular diffusion coefficients of ferrocene derivatives in supercritical carbon dioxide by chromatographic impulse response2017

    • Author(s)
      Yuki Ohkubo, Junichi Sakabe, Toshitaka Funazukuri, Chang Yi Kong
    • Organizer
      SuperGreen 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Book] 超臨界流体を用いる合成と加工2017

    • Author(s)
      化学工学会超臨界流体部会(30名)
    • Total Pages
      252
    • Publisher
      シーエムシー出版
    • ISBN
      9784781312682
    • Related Report
      2017 Research-status Report

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Published: 2017-04-28   Modified: 2022-01-27  

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