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Theory of Surface Phase Transitions and Inhomogeneous Fluids

Research Project

Project/Area Number 23340122
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Biophysics/Chemical physics
Research InstitutionOkayama University

Principal Investigator

KOGA Kenichiro  岡山大学, 自然科学研究科, 教授 (10315020)

Project Period (FY) 2011-04-01 – 2015-03-31
Project Status Completed (Fiscal Year 2014)
Budget Amount *help
¥15,730,000 (Direct Cost: ¥12,100,000、Indirect Cost: ¥3,630,000)
Fiscal Year 2013: ¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2012: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000)
Fiscal Year 2011: ¥5,720,000 (Direct Cost: ¥4,400,000、Indirect Cost: ¥1,320,000)
Keywords界面 / 溶液 / 液体 / 不均一流体 / 濡れ転移 / 統計力学 / 分子シミュレーション / 疎水性相互作用 / 浸透第2ビリアル係数 / 溶媒和 / 溶解度 / 疎水性水和 / 水 / 溶媒和熱力学
Outline of Final Research Achievements

Various kinds of wetting phenomena are commonly observed. The origin of the variety, however, has long been unknown. Here we built an analytically solvable model of wetting transitions, solved it, and found the conditions under which the model gives the first-order, second-order, continuously varying order, and infinite-order wetting transitions. We also studied the effect of thermal fluctuations on wetting transitions.
We proposed the method for calculating the second osmotic virial coefficient B of hydrophobic molecules in water. For an aqueous solution of methane, we found that B is positive at low temperatures, decreases with increasing temperature, and becomes very negative at high temperatures. This indicates that the hydrophobic molecules in water, overall, repel each other at low temperature and they attract each other at high temperature. We also studied how far the hydrophobic effect persists as a hydrophobic solute approaches the liquid-vapor interface of water.

Report

(4 results)
  • 2014 Final Research Report ( PDF )
  • 2013 Annual Research Report
  • 2012 Annual Research Report
  • 2011 Annual Research Report
  • Research Products

    (29 results)

All 2014 2013 2012 2011 Other

All Journal Article (11 results) (of which Peer Reviewed: 11 results) Presentation (17 results) (of which Invited: 7 results) Remarks (1 results)

  • [Journal Article] Local solubility of nonpolar molecules in the liquid-vapor interfaces of water and simple liquids2014

    • Author(s)
      Kiharu Abe and Kenichiro Koga
    • Journal Title

      Journal of Molecular Liquids

      Volume: 未定 Pages: 7-17

    • DOI

      10.1016/j.molliq.2014.02.014

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Renormalization group calculations for wetting transitions of infinite order and continuously varying order: Local interface Hamiltonian approach2013

    • Author(s)
      J.O. Indekeu, K. Koga, Hans Hooyberghs, A.O. Parry
    • Journal Title

      Physical Review E

      Volume: 88 Issue: 2 Pages: 22122-22122

    • DOI

      10.1103/physreve.88.022122

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Osmotic Second Virial Coefficient of Methane in Water2013

    • Author(s)
      K. Koga
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 117 Issue: 41 Pages: 12619-12624

    • DOI

      10.1021/jp4085298

    • Related Report
      2013 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Note on the Calculation of the Second Osmotic Virial Coefficient in Stable and Metastable Liquid States2013

    • Author(s)
      B. Widom and K. Koga
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 117 Issue: 4 Pages: 1151-1154

    • DOI

      10.1021/jp311800p

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Thermodynamic functions as correlation-function integrals2013

    • Author(s)
      K. Koga and B. Widom
    • Journal Title

      The Journal of Chemical Physics

      Volume: 138 Issue: 11

    • DOI

      10.1063/1.4795498

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Inclusion of Neon Inside Ice Ic and its Influence to the Ice Structure2012

    • Author(s)
      L. Hakim,M. Matsumoto, K. Koga, and H. Tanaka
    • Journal Title

      J. Phys. Soc. Jpn

      Volume: 81(SA018) Issue: Suppl.A Pages: 7-7

    • DOI

      10.1143/jpsjs.81sa.sa018

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Model of Freezing Behavior of Liquid Monolayers Adsorbed in Cylindrical Pores2012

    • Author(s)
      Kiharu Abe and Kenichiro Koga
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 81 Issue: Suppl.A Pages: SA021-SA021

    • DOI

      10.1143/jpsjs.81sa.sa021

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Diffusivity of Liquid Argon in Carbon Nanotubes2012

    • Author(s)
      Hiroki Akiyoshi and Kenichiro Koga
    • Journal Title

      Journal of the Physical Society of Japan

      Volume: 81 Issue: Suppl.A Pages: SA022-SA022

    • DOI

      10.1143/jpsjs.81sa.sa022

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] How much does the core structure of a three-phase contact line contribute to the line tension near a wetting transition?2011

    • Author(s)
      J.O.Indekeu, K.Koga, B.Widom
    • Journal Title

      Journal of Physics : Condensed Matter

      Volume: 23 Issue: 19 Pages: 194101-194101

    • DOI

      10.1088/0953-8984/23/19/194101

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Wetting transitions of continuously varying or infinite order from a mean-field density-functional theory2011

    • Author(s)
      K.Koga, J.O.Indekeu, B.Widom
    • Journal Title

      Molecular Physics

      Volume: 109 Issue: 7-10 Pages: 1297-1311

    • DOI

      10.1080/00268976.2011.556095

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Solvation of hydrophobes in water and simple liquids2011

    • Author(s)
      Kenichiro Koga
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 13 Issue: 44 Pages: 19749-19758

    • DOI

      10.1039/c1cp22344e

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Presentation] 生体系における水の役割:疎水効果を中心に2012

    • Author(s)
      甲賀 研一郎
    • Organizer
      生命科学に取り組む異分野の融合と交流の推進 スーパーコンピュータ上「京」と生命科学
    • Place of Presentation
      岡山大学五十周年記念館 (岡山市)
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Do methane molecules attract each other in water?2012

    • Author(s)
      K. Koga
    • Organizer
      6th Mini-Symposium on Liquids
    • Place of Presentation
      九州大学創立五十周年記念講堂大会議室 (福岡市)
    • Related Report
      2012 Annual Research Report
  • [Presentation] Hydrophobic solvation and the osmotic second virial coefficient2012

    • Author(s)
      KOGA, KENICHIRO
    • Organizer
      Gordon Research Conferences: Water & Aqueous Solutions
    • Place of Presentation
      Holderness School (New Hampshire, USA)
    • Related Report
      2012 Annual Research Report
  • [Presentation] 濡れ転移の多様性について2012

    • Author(s)
      甲賀 研一郎
    • Organizer
      先端化学・材料技術部会 コンピュータケミストリ分科会 高分子シミュレーション技術セミナー 11月度例会
    • Place of Presentation
      アイランドホテル 浦島 (愛知県 知多郡)
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Methane in cold and hot water2012

    • Author(s)
      Kenichiro Koga
    • Organizer
      The Third Symposium in Commemoration of International Exchange Agreement Between Faculty of Science, University of Copenhagen and Graduate School of Natural Science and Technology, Okayama University
    • Place of Presentation
      岡山大学 理学部
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] 溶液・界面の統計力学とシミュレーション2012

    • Author(s)
      甲賀研一郎
    • Organizer
      「第6回分子シミュレーションスクール-基礎から応用まで-」「TCCI ウィンターカレッジ -分子シミュレーション-」
    • Place of Presentation
      岡崎コンファレンスセンター2階 小会議室(岡崎市)
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] Hydrophobes in Water/Water in Nanotubes2012

    • Author(s)
      Kenichiro Koga
    • Organizer
      International Center for Quantum Materials (ICQM), PKU Weekly Seminar
    • Place of Presentation
      Peking University (Beijing, China)
    • Related Report
      2012 Annual Research Report
    • Invited
  • [Presentation] A general view on solvation of apolar solutes in water and in simple liquids2011

    • Author(s)
      甲賀研一郎
    • Organizer
      5th Mini-Symposium on Liquids
    • Place of Presentation
      岡山大学創立五十周年記念館(岡山市)
    • Related Report
      2011 Annual Research Report
  • [Presentation] General View on Solvation in Water and Simple Liquids2011

    • Author(s)
      甲賀研一郎
    • Organizer
      第一回ソフトマター研究会
    • Place of Presentation
      キャンパスプラザ京都(京都府)
    • Related Report
      2011 Annual Research Report
  • [Presentation] A General View on Hydrophobicity2011

    • Author(s)
      甲賀研一郎
    • Organizer
      The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-VII)
    • Place of Presentation
      早稲田大学(東京都)(Invited talk)
    • Related Report
      2011 Annual Research Report
  • [Presentation] 疎水性水和の微視的描像のアンサンブル依存性2011

    • Author(s)
      甲賀研一郎
    • Organizer
      第63回コロイドおよび界面化学討論会
    • Place of Presentation
      京都大学・吉田キャンパス(京都府)(招待講演)
    • Related Report
      2011 Annual Research Report
  • [Presentation] 疎水性水和の熱力学2011

    • Author(s)
      甲賀研一郎
    • Organizer
      2011年日本化学会西日本大会
    • Place of Presentation
      徳島大学工学部(徳島市)(招待講演)
    • Related Report
      2011 Annual Research Report
  • [Presentation] 疎水効果と4℃の水の関係2011

    • Author(s)
      甲賀研一郎
    • Organizer
      第34回溶液化学シンポジウム
    • Place of Presentation
      名古屋大学ES総合館ESホール(名古屋市)
    • Related Report
      2011 Annual Research Report
  • [Presentation] The osmotic second virial coefficient of hydrophobic solutes in aqueous solution

    • Author(s)
      Kenichiro Koga
    • Organizer
      Mini-symposium on liquids
    • Place of Presentation
      福岡市
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Presentation] 浸透第2ビリアル係数でみる疎水性相互作用

    • Author(s)
      甲賀研一郎
    • Organizer
      日本物理学会
    • Place of Presentation
      徳島市
    • Related Report
      2013 Annual Research Report
  • [Presentation] 疎水性相互作用の温度依存性について

    • Author(s)
      甲賀研一郎
    • Organizer
      ソフトマター研究会
    • Place of Presentation
      八王子市
    • Related Report
      2013 Annual Research Report
  • [Presentation] Demystifying the Hydrophobic Effect

    • Author(s)
      Kenichiro Koga
    • Organizer
      XLIII Winter Meeting on Statistical Physics
    • Place of Presentation
      Taxco, Mexico
    • Related Report
      2013 Annual Research Report
    • Invited
  • [Remarks] Theoretical Physical Chemistry

    • URL

      http://phys.chem.okayama-u.ac.jp/koga/Publication.html

    • Related Report
      2012 Annual Research Report

URL: 

Published: 2011-04-06   Modified: 2019-07-29  

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