超臨界流体+高沸点化合物系のモンテカルロシミュレーション Monte Carlo Simulation for Supercritical Fluids + High-Boiling Compounds Systems

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著者

    • 山本 盛夫 YAMAMOTO Morio
    • 九州大学大学院工学研究科化学システム工学 Department of Chemical Systems and Engineering, Kyushu University
    • 岩井 芳夫 IWAI Yoshio
    • 九州大学大学院工学研究科化学システム工学 Department of Chemical Systems and Engineering, Kyushu University

抄録

The Monte Carlo method has been applied to calculate the solubilities (gas-solid equilibria) of high-boiling compounds (aromatic compounds, higher alcohols, and higher fatty acids) in supercritical fluids. Supercritical fluids were treated as single site molecules, and high-boiling compounds were treated as multisite molecules. The solubilities of aromatic isomers in supercritical carbon dioxide can be quantitatively distinguished by a group contribution site model without any binary interaction parameters. The structures of supercritical carbon dioxide around aromatic isomers are found to be different because of the screen effect of the substituents. The radial distribution functions of supercritical fluids and mean-square end-to-end separations for chain molecules have been reported as fundamental knowledge of the microstructure of chain molecules in the supercritical fluid phase.

収録刊行物

  • 高圧力の科学と技術 = The Review of high pressure science and technology  

    高圧力の科学と技術 = The Review of high pressure science and technology 8(4), 243-250, 1998-11-01 

    The Japan Society of High Pressure Science and Technology

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各種コード

  • NII論文ID(NAID)
    10002849434
  • NII書誌ID(NCID)
    AN10452913
  • 本文言語コード
    JPN
  • 資料種別
    ART
  • ISSN
    0917639X
  • NDL 記事登録ID
    4621286
  • NDL 雑誌分類
    ZP1(科学技術--化学・化学工業)
  • NDL 請求記号
    Z17-1589
  • データ提供元
    CJP書誌  NDL  J-STAGE 
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