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Solute-solvent interaction in nonpolar solutions of oleic acid as revealed by molecular dynamics simulation

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Abstract

Limiting solutions of oleic acid (CH3(CH2)7CH=CH(CH2)7COOH) in deuterated benzene (C6D6) and decalin (C10D18) are examined by molecular-dynamics simulation. To elucidate the possible effect of the interaction of a solvent with an acid on small-angle thermal neutron scattering, the time-averaged spatial distributions of the scattering-length density (SLD) of neutrons in the vicinity of acid molecule in mentioned solutions are constructed and analyzed. A difference is found in the SDL distributions in the inner and outer field of the bend of the oleic-acid molecule, depending on the effective size of the solvent molecule.

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Authors and Affiliations

  1. Joint Institute for Nuclear Research, Dubna, Moscow oblast, 141980, Russia

    R. A. Eremin, Kh. T. Kholmurodov, V. I. Petrenko & M. V. Avdeev

  2. University Center Joint Institute for Nuclear Research, Dubna, Moscow oblast, 141980, Russia

    R. A. Eremin

  3. Dubna International University, Dubna, Moscow oblast, 141980, Russia

    Kh. T. Kholmurodov

  4. Taras Shevchenko National University, Kyiv, 01601, Ukraine

    V. I. Petrenko

Authors
  1. R. A. Eremin
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  2. Kh. T. Kholmurodov
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  3. V. I. Petrenko
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  4. M. V. Avdeev
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Corresponding author

Correspondence to R. A. Eremin.

Additional information

Original Russian Text © R.A. Eremin, Kh.T. Kholmurodov, V.I. Petrenko, M.V. Avdeev, 2013, published in Poverkhnost’. Rentgenovskie, Sinkhrotronnye i Neitronnye Issledovaniya, 2013, No. 12, pp. 15–20.

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Eremin, R.A., Kholmurodov, K.T., Petrenko, V.I. et al. Solute-solvent interaction in nonpolar solutions of oleic acid as revealed by molecular dynamics simulation. J. Surf. Investig. 7, 1128–1132 (2013). https://doi.org/10.1134/S1027451013060281

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  • DOI: https://doi.org/10.1134/S1027451013060281

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