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


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.