• DocumentCode
    2533235
  • Title

    A self-consistent theory of polymer solvation

  • Author

    Livadaru, Lucian ; Kovalenko, Andriy

  • Author_Institution
    Nat. Inst. for Nanotechnology, Nat. Res. Council of Canada, Edmonton, Alta., Canada
  • fYear
    2005
  • fDate
    24-27 July 2005
  • Firstpage
    400
  • Lastpage
    401
  • Abstract
    We propose a self-consistent molecular theory of conformational properties of flexible polymers in melts and solutions. The method employs the Polymer Reference Interaction Site Model for the intermolecular correlations and the Green functions technique for the intramolecular correlations. We demonstrate this method on n-alkane molecules in different environments: water, hexane, and in melt, corresponding to poor good, and θ-condition, respectively.
  • Keywords
    SCF calculations; polymer melts; polymer solutions; solvation; Green functions technique; conformational properties; flexible polymer solvation; hexane; intermolecular correlations; n-alkane molecules; polymer reference interaction site model; self-consistent theory; water; Bonding; Computer simulation; Councils; Equations; Fourier transforms; Green function; Liquids; Nanotechnology; Polymers; Solvents;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    MEMS, NANO and Smart Systems, 2005. Proceedings. 2005 International Conference on
  • Print_ISBN
    0-7695-2398-6
  • Type

    conf

  • DOI
    10.1109/ICMENS.2005.18
  • Filename
    1540862