Journal of Structural Chemistry

, Volume 46, Issue 1, pp 168–171 | Cite as

Ab initio calculation of the structure of acetate cellulose membranes for reverse osmosis

  • E. V. Butyrskaya
  • V. A. Shaposhnik
  • A. A. Reznikov


The elementary unit of the monoacetate cellulose membrane in lithium, sodium, and potassium chloride solutions was simulated with the Gaussian-98 program package. The results are used for qualitative explanation of the selective transport of water in comparison with electrolyte in the case of reverse osmosis.


reverse osmosis acetate cellulose membrane structure hydration water transport 


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Copyright information

© Springer Science+Business Media, Inc. 2005

Authors and Affiliations

  • E. V. Butyrskaya
    • 1
  • V. A. Shaposhnik
    • 1
  • A. A. Reznikov
    • 1
  1. 1.Voronezh State UniversityRussia

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