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New reaction solvent design based on the search for controlling factors of macroscopic physical property of water-alcohol mixture at high temperatures and high pressures

Research Project

Project/Area Number 15K18254
Research Category

Grant-in-Aid for Young Scientists (B)

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

Principal Investigator

Ono Takumi  東北大学, 工学研究科, 教育研究支援者 (20637243)

Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2016: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2015: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Keywords高温高圧アルコール水溶液 / 密度 / 粘度 / 分子シミュレーション / 水素結合 / Eyring理論 / アルコール水溶液 / 疎水性水和 / 分子動力学計算 / 高温高圧
Outline of Final Research Achievements

Water-alcohol mixtures at high temperature and pressure are expected as a new reaction solvent. In this study, density and viscosity data, which are required for process development and design, were measured at high temperatures and pressures. The density and viscosity measurement system developed by our group were improved, and those of water-methanol, water-ethanol and water-n-propanol were measured with high accuracy at temperatures under 618 K and pressures under 40 MPa. Molecular dynamics simulation reflecting measured density data were performed and the relationship between macroscopic and microscopic properties were clarified. Moreover, densities and viscosities measured in this study and reported in the literature were correlated continuously up to high temperatures and high pressures using the combination of the Eyring's theory, equation of state and mixing rule.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (15 results)

All 2017 2016 2015

All Journal Article (5 results) (of which Peer Reviewed: 5 results,  Acknowledgement Compliant: 4 results) Presentation (10 results) (of which Int'l Joint Research: 2 results)

  • [Journal Article] Measurement and correlation of density and viscosity of n-alcohol-water mixtures at temperatures up to 618 K and at pressures up to 40 MPa2017

    • Author(s)
      Ono Takumi、Kyoda Moe、Amezawa Ryosuke、Ota Masaki、Sato Yoshiyuki、Inomata Hiroshi
    • Journal Title

      Fluid Phase Equilibria

      Volume: 453 Pages: 13-23

    • DOI

      10.1016/j.fluid.2017.09.005

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A flow cell for measuring X-ray Compton scattering of liquid at temperatures up to 623 K and pressures up to 20 MPa2016

    • Author(s)
      Takumi Ono, Masaru Watanabe, Yoshiyuki Sato, Hiroshi Inomata, Koichi Nakahara, Masayoshi Itou, Yoshiharu Sakurai
    • Journal Title

      REVIEW OF SCIENTIFIC INSTRUMENTS

      Volume: 87 Issue: 8 Pages: 083106-083106

    • DOI

      10.1063/1.4960706

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Hydrogen bond lifetimes in supercritical methanol-water mixtures via MD simulation2016

    • Author(s)
      Takumi Ono, Masaki Ota, Yoshiyuki Sato, Hiroshi Inomata
    • Journal Title

      Molecular Physics

      Volume: 114 Issue: 20 Pages: 2974-2982

    • DOI

      10.1080/00268976.2016.1213435

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Measurements and correlations of density and viscosity for short chain (C1-C3) n-alcohol-water mixtures in the temperature range from 350.7 K to 476.2 K at pressures up to 40 MPa2016

    • Author(s)
      Takumi Ono, Ryosuke Amezawa, Ayako Igarashi, Masaki Ota, Yoshiyuki Sato, Hiroshi Inomata
    • Journal Title

      Fluid Phase Equilibria

      Volume: 407 Pages: 198-208

    • DOI

      10.1016/j.fluid.2015.07.012

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Dynamic Properties of Methanol-Water Mixtures at the Temperatures up to 476.2 K and at High Pressures via Molecular Dynamics Simulation2016

    • Author(s)
      Takumi Ono, Kyouhei Horikawa, Yuki Maeda, Masaki Ota, Yoshiyuki Sato, Hiroshi Inomata
    • Journal Title

      Fluid Phase Equilibria

      Volume: 印刷中 Pages: 30-35

    • DOI

      10.1016/j.fluid.2015.12.010

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Presentation] MDシミュレーションによる高温高圧下のメタノール水溶液周囲の配位構造解析2017

    • Author(s)
      小野 巧, 洞 俊貴, 大田昌樹, 佐藤善之, 猪股 宏
    • Organizer
      分離技術会年会2017
    • Related Report
      2017 Annual Research Report
  • [Presentation] 常温から水の臨界点近傍におけるアルコール水溶液密度・粘測測定および温度・圧力・アルコール種依存性の検討2017

    • Author(s)
      茂垣貴久, 経田 萌, 小野 巧, 大田昌樹, 佐藤善之, 猪股 宏
    • Organizer
      分離技術会年会2017
    • Related Report
      2017 Annual Research Report
  • [Presentation] 分子動力学を用いたKirkwood-Buff理論に基づく高温高圧アルコール水溶液の密度ゆらぎの解析2017

    • Author(s)
      洞 俊貴, 古川 凌, 小野 巧, 大田昌樹, 佐藤善之, 猪股 宏
    • Organizer
      化学工学会 第49回秋季大会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Measurements and Correlations of Density and Viscosity for Normal and Branched Alcohol-Water Solutions at Temperatures and Pressures up to 618 K and 40MPa2016

    • Author(s)
      Takumi Ono, Moe Kyoda, Ryosuke Amezawa, Masaki Ota, Yoshiyuki Sato, Hiroshi Inomata
    • Organizer
      The 11 th Asian Thermophysical Properties Conference (ATPC 2016)
    • Place of Presentation
      Yokohama
    • Year and Date
      2016-10-02
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 高温高圧アルコール水溶液の密度・粘度挙動と自己・相互拡散係数の関係2016

    • Author(s)
      小野 巧,洞 俊貴,経田 萌,大田昌樹,佐藤善之,猪股 宏
    • Organizer
      化学工学会 第48回秋季大会
    • Place of Presentation
      徳島大学(徳島県・徳島市)
    • Year and Date
      2016-09-06
    • Related Report
      2016 Research-status Report
  • [Presentation] 洞 俊貴,小野 巧,大田昌樹,佐藤善之,猪股 宏2016

    • Author(s)
      分子動力学法による高温高圧メタノール水溶液の熱力学量算出に関する検討
    • Organizer
      化学工学会 第48回秋季大会
    • Place of Presentation
      徳島大学(徳島県・徳島市)
    • Year and Date
      2016-09-06
    • Related Report
      2016 Research-status Report
  • [Presentation] 高温高圧アルコール水溶液の特徴的な密度・粘度挙動の解析および相関手法の検討2016

    • Author(s)
      小野 巧,雨澤亮介,経田 萌,大田昌樹,佐藤善之,猪股 宏
    • Organizer
      化学工学会第81年会
    • Place of Presentation
      関西大学(大阪府・吹田市)
    • Year and Date
      2016-03-13
    • Related Report
      2015 Research-status Report
  • [Presentation] 573 K, 40 MPaまでのアルコール水溶液を対象とした振動管および毛細管法による密度・粘度同時測定2015

    • Author(s)
      小野 巧,雨澤亮介,経田 萌,大田昌樹,佐藤善之,猪股 宏
    • Organizer
      第36回日本熱物性シンポジウム
    • Place of Presentation
      東北大学(宮城県・仙台市)
    • Year and Date
      2015-10-19
    • Related Report
      2015 Research-status Report
  • [Presentation] 高温高圧アルコール水溶液の密度粘度測定およびEyring theoryによる推算2015

    • Author(s)
      雨澤亮介,経田 萌,小野 巧,佐藤善之,猪股 宏
    • Organizer
      化学工学会第47回秋季大会
    • Place of Presentation
      北海道大学(北海道・札幌市)
    • Year and Date
      2015-09-09
    • Related Report
      2015 Research-status Report
  • [Presentation] Dynamic Properties of Methanol-Water Mixture in the Temperature Range up to 476.2 K and High Pressure via Molecular Dynamics Simulation2015

    • Author(s)
      Takumi Ono, Kyouhei Horikawa, Yuki Maeda, Masaki Ota, Yoshiyuki Sato and Hiroshi Inomata
    • Organizer
      The 7th International Symposium on Molecular Thermodynamics and Molecular Simulation (MTMS’15)
    • Place of Presentation
      Fukuoka(Japan)
    • Year and Date
      2015-08-04
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research

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Published: 2015-04-16   Modified: 2019-03-29  

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