Molecular Theories of Partial Molar Volume

DOI Web Site 参考文献33件
  • Hirata F.
    Department of Theoretical Study, Institute for Molecular Science Department of Functional Molecular Science, The Graduate University for Advanced Studies
  • Imai T.
    Department of Functional Molecular Science, The Graduate University for Advanced Studies
  • Irisa M.
    Faculty of Computer Science and Engineering, Kyushu Institute of Technology

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タイトル別名
  • Organic Reactions and High Pressure. Molecular Theories of Partial Molar Volume.
  • Molecular Theories of Partial Molar Vol

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Two main streams in the molecular theories for partial molar volume are reviewed. The first stream is based on the scaled particle theory of liquids and its extension to polyatomic molecules; this has been used successfully in determining the solvation free energy of non-polar solutes in water. The second method employs the Kirkwood-Buff solution theory. This method is coupled to the integral equation theory of molecular liquids to calculate the partial molar volume of polyatomic molecules. The dependence of the partial molar volume on the conformational change of butane and a tripeptide is examined based on these methods.

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