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

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Abstract

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.

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Authors and Affiliations

  1. Voronezh State University, Russia

    E. V. Butyrskaya, V. A. Shaposhnik & A. A. Reznikov

Authors
  1. E. V. Butyrskaya
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  2. V. A. Shaposhnik
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  3. A. A. Reznikov
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Original Russian Text Copyright © 2005 by E. V. Butyrskaya, V. A. Shaposhnik, and A. A. Reznikov

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Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 1, pp. 170–173, January–February, 2005.

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Butyrskaya, E.V., Shaposhnik, V.A. & Reznikov, A.A. Ab initio calculation of the structure of acetate cellulose membranes for reverse osmosis. J Struct Chem 46, 168–171 (2005). https://doi.org/10.1007/s10947-006-0025-1

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  • DOI: https://doi.org/10.1007/s10947-006-0025-1

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