R. A. Eremin, Kh. T. Kholmurodov, V. I. Petrenko, L. Rosta, M. V. Avdeev, “Molecular dynamics simulation analysis of small-angle neutron scattering by a solution of stearic acid in benzene”, Fizika Tverdogo Tela, 2014, Volume 56, Issue 1,Pages <nobr>86

This article is cited in 6 papers

XXII International Conference on the Use of Neutron Scattering in Condensed Matter Research (RNICS-2012), St. Petersburg, Zelenogorsk (October 15-19, 2012)
Non-crystalline materials, nanostructures, and liquids

Molecular dynamics simulation analysis of small-angle neutron scattering by a solution of stearic acid in benzene

R. A. Eremin^a, Kh. T. Kholmurodov^ab, V. I. Petrenko^ac, L. Rosta^d, M. V. Avdeev^a

^a Joint Institute for Nuclear Research, Dubna, Moscow region
^b Dubna State University, Dubna, Moscow Reg.
^c National Taras Shevchenko University of Kyiv
^d Wigner Research Centre for Physics, Institute for Solid State Physics and Optics, Budapest, Hungary

Abstract: Data of small-angle neutron scattering by a diluted solution of stearic acid in deuterated benzene have been analyzed using the results of molecular dynamics simulation. The molecular dynamics simulation approach has been used to calculate the time-averaged distribution of the neutron scattering length density at the interface between the acid molecule and the solvent. It has been shown that the organization of the solvent at the interface with the acid molecule leads to a modulation of the neutron scattering length density and makes a significant contribution to the scattering. This contribution should be taken into account when interpreting the experimental small-angle neutron scattering curves for both the considered system and its analogues.