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Theoretical study of steric effects in electrolyte solutions: Toward thorough understanding of Hofmester effect

Research Project

Project/Area Number 18K03562
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 13040:Biophysics, chemical physics and soft matter physics-related
Research InstitutionOkayama University

Principal Investigator

Okamoto Ryuichi  岡山大学, 異分野基礎科学研究所, 特任講師 (10636385)

Project Period (FY) 2018-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2020: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2019: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2018: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords電解質溶液 / 排除体積効果 / イオン / 静電相互作用 / 溶媒誘起相互作用 / 疎水性相互作用 / 浸透第二ビリアル係数 / セチェノフ係数 / 電縮効果 / 塩溶液 / イオン固有効果 / 活量係数 / 部分モル体積 / 浸透係数 / 電解質 / ホフマイスター系列 / 連続場理論 / 水和効果 / 溶媒和 / 密度ゆらぎ / 相分離 / specific ion effect / ポアソン-ボルツマン方程式
Outline of Final Research Achievements

In dilute electrolyte solutions, there exist universal laws such as the Debye-Huckel law of the activity coefficient. As the ion concentration increases, ion-specificity becomes more noticeable; ion-specificity means ions with the same valence numbers have different effects on the properties of solutions. The two major achievements are as follows. (i) we showed that the ion-specificities in the ion activity coefficient, osmotic coefficient, and salt partial volume are explained as a result of combination of steric effects of the ions and the solvent and the electrostriction of ions. (ii) For solutions of hydrophobic molecules, we found a simple relationship between the ion effects on the solubility and the hydrophobic interaction. The latter is relevant to the conformation of macromolecules, e.g., DNAs, proteins in salt solutions.

Academic Significance and Societal Importance of the Research Achievements

近年,計算機の発展とともにイオン固有性の分子的詳細の様々な側面が明らかになってきた.反面,シンプルな物理的描像による理論的理解は(それが可能であるかどうかも含めて)得られていなかった.この成果は今後の理論のみならず,計算機による分子的詳細の研究,実験研究にも指針を与えると期待される.特に,塩溶液中における疎水性分子の溶解度と疎水性相互作用の間の単純な関係式は今後の計算機シミュレーションによる検証が待たれる.また,タンパク質やDNA溶液への塩効果のようなは生物学や化学工学において重要な研究の端緒となることが期待できる.

Report

(5 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Research-status Report
  • 2019 Research-status Report
  • 2018 Research-status Report
  • Research Products

    (16 results)

All 2021 2020 2019 2018

All Journal Article (5 results) (of which Peer Reviewed: 5 results) Presentation (11 results) (of which Int'l Joint Research: 2 results)

  • [Journal Article] Ion Size Dependences of the Salting-Out Effect: Reversed Order of Sodium and Lithium Ions2021

    • Author(s)
      Katsuto Hiroyuki、Okamoto Ryuichi、Sumi Tomonari、Koga Kenichiro
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 125 Issue: 23 Pages: 6296-6305

    • DOI

      10.1021/acs.jpcb.1c03388

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theory of Gas Solubility and Hydrophobic Interaction in Aqueous Electrolyte Solutions2021

    • Author(s)
      Okamoto Ryuichi、Koga Kenichiro
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 125 Issue: 46 Pages: 12820-12831

    • DOI

      10.1021/acs.jpcb.1c08050

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theory of electrolytes including steric, attractive, and hydration interactions2020

    • Author(s)
      Ryuichi Okamoto, Kenichiro Koga, and Akira Onuki
    • Journal Title

      The Journal of Chemical Physics

      Volume: 153 Issue: 7 Pages: 074503-074503

    • DOI

      10.1063/5.0015446

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] 溶媒和効果の物理 ―密度揺らぎ・ナノバブル・溶質誘起相分離2019

    • Author(s)
      岡本隆一、小貫明
    • Journal Title

      日本物理学会誌

      Volume: 74 Pages: 210-214

    • NAID

      130007703186

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Theory of nonionic hydrophobic solutes in mixture solvent: Solvent-mediated interaction and solute-induced phase separation2018

    • Author(s)
      Okamoto Ryuichi、Onuki Akira
    • Journal Title

      The Journal of Chemical Physics

      Volume: 149 Issue: 1 Pages: 014501-014501

    • DOI

      10.1063/1.5037673

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Presentation] 塩溶液中のガス溶解度と疎水性相互作用2021

    • Author(s)
      岡本隆一
    • Organizer
      日本物理学会2021年秋季大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 塩溶液中のガス溶解度と溶質間有効相互作用の理論2021

    • Author(s)
      岡本隆一
    • Organizer
      第35回分子シミュレーション討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 2,2,2-トリフルオロエタノールによるGCN4- p1コイルドコイルヘリックスの安定化の解析2021

    • Author(s)
      中田乃愛 , 岡本隆一, 墨智成, 甲賀研一郎
    • Organizer
      第35回分子シミュレーション討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 電解質水溶液中における疎水性溶質の溶解度の陽イオン直径依存性2021

    • Author(s)
      甲藤寛之, 岡本隆一, 墨智成, 甲賀研一郎
    • Organizer
      第35回分子シミュレーション討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] van der Waals描像による両親媒性分子の溶媒和自由エネルギーの温度・圧力依存性の再現2021

    • Author(s)
      平良碧生, 岡本隆一, 墨智成, 甲賀研一郎
    • Organizer
      第35回分子シミュレーション討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 疎水性相互作用の溶質分子サイズ依存性: シミュレーションを用いたアプローチ2021

    • Author(s)
      内藤秀文, 岡本隆一, 墨智成, 甲賀研一郎
    • Organizer
      第35回分子シミュレーション討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 電解質溶液の連続場理論:排除体積・水和とイオン固有効果2020

    • Author(s)
      岡本隆一、甲賀研一郎、小貫明
    • Organizer
      日本物理学会 第75回年次大会
    • Related Report
      2019 Research-status Report
  • [Presentation] Theory for bulk thermodynamic properties of simple electrolyte solutions: Interplay of excluded volume and hydration effects2019

    • Author(s)
      Ryuichi Okamoto
    • Organizer
      The 13th Mini-Symposium on Liquids
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research
  • [Presentation] イオン固有効果の連続場理論2019

    • Author(s)
      岡本隆一
    • Organizer
      第9回ソフトマター研究会
    • Related Report
      2019 Research-status Report
  • [Presentation] 混合溶媒における疎水性溶質添加効果 -- 密度揺らぎ、溶質誘起相分離--2019

    • Author(s)
      岡本隆一, 甲賀研一郎, 小貫明
    • Organizer
      日本物理学会第74回年次大会
    • Related Report
      2018 Research-status Report
  • [Presentation] Density fluctuations and solute-induced phase separation in a fluid mixture composed of a binary solvent and a nonionic hydrophobic solute : Ouzo effect2018

    • Author(s)
      Ryuichi Okamoto
    • Organizer
      Soft matter physics: from the perspective of the essential heterogeneity
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research

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Published: 2018-04-23   Modified: 2023-01-30  

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