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Nano-scale Analysis of Vapor-Liquid/Liquid-Vapor Nucleation by Molecular Dynamics Simulations

Research Project

Project/Area Number 20560198
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Thermal engineering
Research InstitutionKeio University

Principal Investigator

YASUOKA Kenji  Keio University, 理工学部, 教授 (40306874)

Project Period (FY) 2008 – 2010
Project Status Completed (Fiscal Year 2010)
Budget Amount *help
¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000)
Fiscal Year 2010: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2009: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2008: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords核生成 / 分子動力学 / 気相 / 液相 / 分子動力学シミュレーション / Lennard-Jones流体 / 水 / 硫酸
Research Abstract

Molecular dynamics simulations are applied to cluster nucleation in vapor phase and bubble nucleation in liquid phase. For cluster nucleation a sulfuric acid / water vapor mixture system were simulated and nucleation rate, formation free energy, and critical nucleus were estimated. We calculated a heterogeneous nucleation with a cubic seed. For bubble nucleation we estimated the nucleation rate by using two different estimations and found the minimum system size for estimating the nucleation rate.

Report

(4 results)
  • 2010 Annual Research Report   Final Research Report ( PDF )
  • 2009 Annual Research Report
  • 2008 Annual Research Report
  • Research Products

    (12 results)

All 2011 2010 2009 2008

All Journal Article (2 results) (of which Peer Reviewed: 2 results) Presentation (10 results)

  • [Journal Article] Microscopic insights into nucleation in a sulfuric acid-water vapor mixture based on molecular dynamics simulation2009

    • Author(s)
      H.Matsubara, T.Ebisuzaki, K.Yasuoka
    • Journal Title

      J.Chem.Phys. 130

      Pages: 104705-104705

    • Related Report
      2010 Final Research Report
    • Peer Reviewed
  • [Journal Article] Microscopic insights into nucleation in a sulfurio acid-water vapor mixture based on molecular dynamics simulation2009

    • Author(s)
      Hiroki Matsubara
    • Journal Title

      The Journal of Chemical Physics 130

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] Molecular Dynamics Simulation of Three-Dimensional Heterogeneous Nucleation2011

    • Author(s)
      D.Suh
    • Organizer
      8th ASME/JSME Thermal Engineering Joint Conference
    • Place of Presentation
      Hawaii, USA
    • Year and Date
      2011-03-16
    • Related Report
      2010 Final Research Report
  • [Presentation] Molecular dynamics simulation for vapor-liquid homogeneous nucleation2010

    • Author(s)
      K.Yasuoka
    • Organizer
      The International Chemical Congress of Pacific Basin Societies
    • Place of Presentation
      Hawaii, USA
    • Year and Date
      2010-12-16
    • Related Report
      2010 Final Research Report
  • [Presentation] Lennard-Jones流体の気泡核生成現象における分子動力学法と古典核生成理論の比較2010

    • Author(s)
      都築孝明
    • Organizer
      第24回分子シミュレーション討論会
    • Place of Presentation
      福井
    • Year and Date
      2010-11-24
    • Related Report
      2010 Annual Research Report 2010 Final Research Report
  • [Presentation] Seed characteristics analysis for heterogeneous nucleation2010

    • Author(s)
      D.Suh
    • Organizer
      第24回分子シミュレーション討論会
    • Place of Presentation
      福井
    • Year and Date
      2010-11-24
    • Related Report
      2010 Annual Research Report 2010 Final Research Report
  • [Presentation] Seed Characteristics Analysis of Nanoparticle Growth by Heterogeneous Nucleation2010

    • Author(s)
      D.Suh
    • Organizer
      The 21st IUPAC International Conference on Chemical Thermodynamics
    • Place of Presentation
      Tsukuba.
    • Year and Date
      2010-08-04
    • Related Report
      2010 Final Research Report
  • [Presentation] Seed Characteristics Analysis of Nanoparticle Growth by Heterogeneous Nucleation2010

    • Author(s)
      Donguk Suh, Kenji Yasuoka
    • Organizer
      The 21st IUPAC International Conference on Chemical Thermodynamics
    • Place of Presentation
      Tsukuba
    • Year and Date
      2010-08-04
    • Related Report
      2010 Annual Research Report
  • [Presentation] 気泡核生成現象における核生成速度の計算方法の比較2009

    • Author(s)
      都築孝明
    • Organizer
      第30回日本熱物性シンポジウム
    • Place of Presentation
      米沢
    • Year and Date
      2009-10-28
    • Related Report
      2010 Final Research Report 2009 Annual Research Report
  • [Presentation] Effect of Sulfuric Acid Molecules on Nucleation of Water Vapor : A Molecular Dynamics Study2008

    • Author(s)
      H.Matsubara
    • Organizer
      15th International Conference on the Properties of Water and Steam
    • Place of Presentation
      Berlin, Germany
    • Year and Date
      2008-09-09
    • Related Report
      2010 Final Research Report
  • [Presentation] 分子動力学法を用いたLennard-Jones流体の均一気泡核生成現象の解析2008

    • Author(s)
      関根希仁
    • Organizer
      第45回日本伝熱シンポジウム
    • Place of Presentation
      つくば
    • Year and Date
      2008-05-22
    • Related Report
      2010 Final Research Report
  • [Presentation] 分子動力学法を用いたLennard-Jones流体の均一気泡核生成現象の解析2008

    • Author(s)
      関根希仁
    • Organizer
      第45回日本伝熱シンポジウム
    • Place of Presentation
      つくば国際会議場
    • Year and Date
      2008-05-22
    • Related Report
      2008 Annual Research Report

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Published: 2008-04-01   Modified: 2016-04-21  

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