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Theoretical model of ion flow dynamics on nano-interfaces

Research Project

Project/Area Number 21760131
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Fluid engineering
Research InstitutionOsaka University

Principal Investigator

DOI Kentaro  Osaka University, 大学院・基礎工学研究科, 講師 (20378798)

Project Period (FY) 2009 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2010: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2009: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Keywords原子・分子物理 / 燃料電池 / イオン流動 / モデル化 / 表面・界面物理
Research Abstract

In this study, ion flow dynamics via interfaces or surfaces were featured and some mesoscale theoretical models based on atomic scale phenomena were constructed. Proton dynamics in polymer electrolyte fuel cells were modeled. The theoretical model describes the electric voltage losses as a function of current density. The behavior of lithium ions in polar solvents was investigated by a theoretical model and molecular dynamics simulations. It was clarified that solvation structures affected the fluidity and the diffusivity. Interactions between solid surfaces and charged DNA molecules were investigated. Using a reaction-diffusion model, the formation mechanism of DNA networks is clarified.

Report

(3 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • Research Products

    (31 results)

All 2011 2010 2009 Other

All Journal Article (6 results) (of which Peer Reviewed: 6 results) Presentation (23 results) Remarks (2 results)

  • [Journal Article] Perturbation theory analysis for electronic response of DNA base pairs2010

    • Author(s)
      Kentaro Doi, Toru Yonebayashi, Satoyuki Kawano
    • Journal Title

      Journal of Molecular Structure : THEOCHEM Vol.939

      Pages: 97-105

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Development of coarse-graining DNA models for single-nucleotide resolution analysis2010

    • Author(s)
      Kentaro Doi, Tomoaki Haga, Hirofumi Shintaku, Satoyuki Kawano
    • Journal Title

      Philosophical Transactions of Royal Society A Vol.368

      Pages: 2615-2628

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Perturbation theory analysis for electronic response of DNA base pairs2010

    • Author(s)
      Kentaro Doi, Toru Yonebayashi, Satoyuki Kawano
    • Journal Title

      J.Mol.Struct.: THEOCHEM

      Volume: 939 Pages: 97-105

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Development of coarse-graining DNA models for single-nucleotide resolution analysis2010

    • Author(s)
      Kentaro Doi, Tomoaki Haga, Hirofumi Shintaku, Satoyuki Kawano
    • Journal Title

      Phil.Trans.R.Soc.A

      Volume: 368 Pages: 2615-2628

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Theoretical model of nanoparticle detection mechanism in microchannel with gating probe electrodes

    • Author(s)
      Kentaro Doi, Masahiro Ueda, Satoyuki Kawano
    • Journal Title

      Journal of Computational Science and Technology (in press.)

    • NAID

      130000791941

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Molecular dynamics study of solvation effect on diffusivity changes of DNA fragments

    • Author(s)
      Kentaro Doi, Takamasa Uemura, Satoyuki Kawano
    • Journal Title

      Journal of Molecular Modeling (in press.)

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Presentation] Theoretical Study on Sensitive Molecular Probe with Gating Nanoelectrodes2011

    • Author(s)
      Masahiro Ueda, Kentaro Doi, Satoyuki Kawano
    • Organizer
      International Symposium : Advanced Science and Technology for Single Molecular Analysis of DNA and Related Molecules
    • Place of Presentation
      京都国際会館
    • Year and Date
      2011-01-24
    • Related Report
      2010 Final Research Report
  • [Presentation] Theoretical Study on Electronic Responses of DNA Base Pairs2011

    • Author(s)
      Kentaro Doi, Satoyuki Kawano
    • Organizer
      International Symposium : Advanced Science and Technology for Single Molecular Analysis of DNA and Related Molecules
    • Place of Presentation
      京都国際会館
    • Year and Date
      2011-01-24
    • Related Report
      2010 Final Research Report
  • [Presentation] Theoretical Study on Sensitive Molecular Probe with Gating Nanoelectrodes2011

    • Author(s)
      Masahiro UEDA, Kentaro Doi, Satoyuki KAWANO
    • Organizer
      International Symposium : Advanced Science and Technology for Single Molecular Analysis of DNA and Related Molecules
    • Place of Presentation
      京都
    • Year and Date
      2011-01-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] Theoretical Study on Electronic Responses of DNA Base Pairs2011

    • Author(s)
      Kentaro DOI, Satoyuki KAWANO
    • Organizer
      International Symposium : Advanced Science and Technology for Single Molecular Analysis of DNA and Related Molecules
    • Place of Presentation
      京都
    • Year and Date
      2011-01-24
    • Related Report
      2010 Annual Research Report
  • [Presentation] A Reaction-Diffusion Model for DNA Self-Assembled Networks on Solid Surfaces2010

    • Author(s)
      Yukihiro Toyokita, Kentaro Doi, Satoyuki Kawano
    • Organizer
      Seventh International Conference on Flow Dynamics
    • Place of Presentation
      東北大学
    • Year and Date
      2010-11-02
    • Related Report
      2010 Final Research Report
  • [Presentation] Fourier Analysis on Self-Assembled Structures of Poly (dA)・poly (dT) DNA on Gold Surfaces2010

    • Author(s)
      Toshiya Kakizaki, Kentaro Doi, Satoyuki Kawano
    • Organizer
      Seventh International Conference on Flow Dynamics
    • Place of Presentation
      東北大学
    • Year and Date
      2010-11-02
    • Related Report
      2010 Final Research Report
  • [Presentation] A Reaction-Diffusion Model for DNA Self-Assembled Networks on Solid Surfaces2010

    • Author(s)
      Yukihiro TOYOKITA, Kentaro DOI, Satoyuki KAWANO
    • Organizer
      Seventh International Conference on Flow Dynamics
    • Place of Presentation
      仙台
    • Year and Date
      2010-11-02
    • Related Report
      2010 Annual Research Report
  • [Presentation] Fourier Analysis on Self-Assembled Structures of Poly(dA)・poly(dT)DNA on Gold Surfaces2010

    • Author(s)
      Toshiya KAKIZAKI, Kentaro DOI, Satoyuki KAWANO
    • Organizer
      Seventh International Conference on Flow Dynamics
    • Place of Presentation
      仙台
    • Year and Date
      2010-11-02
    • Related Report
      2010 Annual Research Report
  • [Presentation] 電場が作用するHOPG基板におけるDNAの自己集合化2010

    • Author(s)
      赤松慎吾, 柿崎俊也, 川野聡恭, 土井謙太郎
    • Organizer
      日本機械学会流体工学部門講演会
    • Place of Presentation
      山形大学
    • Year and Date
      2010-10-31
    • Related Report
      2010 Final Research Report
  • [Presentation] 電場が作用するHOPG基板におけるDNAの自己集合化2010

    • Author(s)
      赤松慎吾, 柿崎俊也, 川野聡恭, 土井謙太郎
    • Organizer
      日本機械学会流体工学部門講演会
    • Place of Presentation
      米沢
    • Year and Date
      2010-10-31
    • Related Report
      2010 Annual Research Report
  • [Presentation] Dynamic Behavior of a Nanoparticle Passing through Nano-electrodes2010

    • Author(s)
      上田真弘, 土井謙太郎, 川野聡恭
    • Organizer
      日本機械学会第23回計算力学講演会
    • Place of Presentation
      北見工業大学
    • Year and Date
      2010-09-25
    • Related Report
      2010 Final Research Report
  • [Presentation] Molecular fluid dynamics of Li^<+> ions forming solvation structures2010

    • Author(s)
      近迫弦, 土井謙太郎, 川野聡恭
    • Organizer
      日本機械学会第23回計算力学講演会
    • Place of Presentation
      北見工業大学
    • Year and Date
      2010-09-25
    • Related Report
      2010 Final Research Report
  • [Presentation] Dynamic Behavior of a Nanoparticle Passing through Nano-electrodes2010

    • Author(s)
      上田真弘, 土井謙太郎, 川野聡恭
    • Organizer
      日本機械学会第23回計算力学講演会
    • Place of Presentation
      北見
    • Year and Date
      2010-09-25
    • Related Report
      2010 Annual Research Report
  • [Presentation] Molecular fluid dynamics of Li^+ ions forming solvation structures2010

    • Author(s)
      近迫弦, 土井謙太郎, 川野聡恭
    • Organizer
      日本機械学会第23回計算力学講演会
    • Place of Presentation
      北見
    • Year and Date
      2010-09-25
    • Related Report
      2010 Annual Research Report
  • [Presentation] PEFCの過電圧に対する膜電極接合体界面の影響2010

    • Author(s)
      土井謙太郎, 橋爪裕基, 川野聡恭
    • Organizer
      日本機械学会2010年度年次大会
    • Place of Presentation
      名古屋工業大学
    • Year and Date
      2010-09-08
    • Related Report
      2010 Final Research Report
  • [Presentation] PEFCの過電圧に対する膜電極接合体界面の影響2010

    • Author(s)
      土井謙太郎, 橋爪裕基, 川野聡恭
    • Organizer
      日本機械学会2010年度年次大会
    • Place of Presentation
      名古屋
    • Year and Date
      2010-09-08
    • Related Report
      2010 Annual Research Report
  • [Presentation] リチウムイオンの流動性に対する溶媒和構造の影響2010

    • Author(s)
      近迫弦, 河本正太, 土井謙太郎, 川野聡恭
    • Organizer
      日本機械学会2010年度年次大会
    • Place of Presentation
      名古屋工業大学
    • Year and Date
      2010-09-07
    • Related Report
      2010 Final Research Report
  • [Presentation] poly (dA). Poly (dT) DNAの自己集合化構造に対する外部電場の影響2010

    • Author(s)
      柿崎敬也, 赤松慎吾, 土井謙太郎, 新宅博文, 加賀谷洋一, 川野聡恭
    • Organizer
      日本機械学会2010年度年次大会
    • Place of Presentation
      名古屋工業大学
    • Year and Date
      2010-09-07
    • Related Report
      2010 Final Research Report
  • [Presentation] リチウムイオンの流動性に対する溶媒和構造の影響2010

    • Author(s)
      近迫弦, 河本正太, 土井謙太郎, 川野聡恭
    • Organizer
      日本機械学会2010年度年次大会
    • Place of Presentation
      名古屋
    • Year and Date
      2010-09-07
    • Related Report
      2010 Annual Research Report
  • [Presentation] poly(dA)-poly(dT)DNAの自己集合化構造に対する外部電場の影響2010

    • Author(s)
      柿崎敬也, 赤松慎吾, 土井謙太郎, 新宅博文, 加賀谷洋一, 川野聡恭
    • Organizer
      日本機械学会2010年度年次大会
    • Place of Presentation
      名古屋
    • Year and Date
      2010-09-07
    • Related Report
      2010 Annual Research Report
  • [Presentation] プロトン流動に起因するPEFC過電圧の分子論的アプローチ2010

    • Author(s)
      土井謙太郎, 川野聡恭
    • Organizer
      第57回応用物理学関係連合講演会
    • Place of Presentation
      東海大学
    • Year and Date
      2010-03-17
    • Related Report
      2010 Final Research Report
  • [Presentation] 固体高分子形燃料電池の積層界面におけるプロトン移動の理論モデル2009

    • Author(s)
      土井謙太郎, 川野聡恭
    • Organizer
      日本機械学会2009年度年次大会
    • Place of Presentation
      岩手大学
    • Year and Date
      2009-09-15
    • Related Report
      2010 Final Research Report
  • [Presentation] 固体高分子形燃料電池の積層界面におけるプロトン移動の理論モデル2009

    • Author(s)
      土井謙太郎
    • Organizer
      日本機械学会 2009年度年次大会
    • Place of Presentation
      岩手大学
    • Year and Date
      2009-09-15
    • Related Report
      2009 Annual Research Report
  • [Remarks] ホームページ等

    • URL

      http://bnf.me.es.osaka-u.ac.jp

    • Related Report
      2010 Final Research Report
  • [Remarks]

    • URL

      http://bnf.me.es.osaka-u.ac.jp/

    • Related Report
      2010 Annual Research Report

URL: 

Published: 2009-04-01   Modified: 2016-04-21  

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