気相－エアロゾル相での界面物質移動の解析

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  • 森田 明弘
    東北大学大学院理学研究科化学専攻 自然科学研究機構 分子科学研究所 理論・計算分子科学研究領域

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タイトル別名
  • Theoretical Analysis of Mass Transfer Kinetics at Gas-Aerosol Interfaces
  • キソウ エアロゾルソウ デノ カイメン ブッシツ イドウ ノ カイセキ

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While mass transfer kinetics at liquid-vapor interfaces is of fundamental importance in heterogeneous atmospheric chemistry, quantitative understandings of mass transfer processes are still far from complete. Observed kinetics is governed by various factors associated with the gas and liquid phases and the interface, and accordingly precise analysis through decomposition of phenomenological rate into elementary steps is desirable for comprehensive understanding of the mass transfer processes. The present paper summarizes recent progress toward precise decomposition with the help of theoretical analyses, such as computational fluid dynamics (CFD) and molecular dynamics (MD) simulations. These simulation techniques are demonstrated to be quite powerful to directly calculate the contribution of each elementary kinetic step, which is not readily evaluated by other experimental means.

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