液相系膜分離における計算化学の応用展開 Review of Computational Chemistry Study on Membrane Separation for Liquid Systems

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Computational chemistry studies on a liquid separation using the membranes were reviewed. There are several types of membranes classified by their pore size, and different computational simulation methods were applied. Computational fluid dynamics (CFD) is an efficient approach to study a colloidal rejection or cake formation on the membrane surface in the microfiltration (MF) and ultrafiltration (UF). The advantage of a CFD is to evaluate the effect of various forces acting on the colloidal particle with the consideration of fluid dynamics. CFD revealed the detail mechanism of the particle deposition on MF and UF with providing the better understanding of the effect of hydrodynamic and electrostatic interactions. In addition to CFD, a kinetic Monte Carlo approach is used to study a formation of cake structure. Nanofiltration (NF) membranes and the membranes having smaller pore have been investigated by molecular simulation techniques such as a molecular dynamics or non-equilibrium Monte Carlo. These techniques reveal the atomistic behavior of solvent and solute, and enable to predict the permeation rate and separation factor based on the atomistic interaction parameters. Some studies on the pervaporation in zeolite membranes and pressure-driven liquid permeation in NF were introduced. Computational chemistry will be useful tool to design the membrane system.

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    膜 32(2), 80-88, 2007-03-01 

    THE MEMBRANE SOCIETY OF JAPAN

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各種コード

  • NII論文ID(NAID)
    10018865788
  • NII書誌ID(NCID)
    AN0023215X
  • 本文言語コード
    JPN
  • 資料種別
    REV
  • ISSN
    03851036
  • NDL 記事登録ID
    8767601
  • NDL 雑誌分類
    ZR2(科学技術--生物学--生化学)
  • NDL 請求記号
    Z18-1127
  • データ提供元
    CJP書誌  CJP引用  NDL  J-STAGE 
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