Theoretical study of steric effects in electrolyte solutions: Toward thorough understanding of Hofmester effect
| Project/Area Number |
18K03562
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Review Section |
Basic Section 13040:Biophysics, chemical physics and soft matter physics-related
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| Research Institution | Okayama University |
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Principal Investigator |
Okamoto Ryuichi 岡山大学, 異分野基礎科学研究所, 特任講師 (10636385)
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| Project Period (FY) |
2018-04-01 – 2022-03-31
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| Project Status |
Completed (Fiscal Year 2021)
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| 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)
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| 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 |
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| 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.
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| 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．
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Report
(5 results)
Research Products
(16 results)
