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

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

Research output: Contribution to journalArticle

7 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)81-85
Number of pages5
JournalPhysics of the Solid State
Volume56
Issue number1
DOIs
Publication statusPublished - 2014

Fingerprint

Stearic acid
Neutron scattering
Benzene
Molecular dynamics
neutron scattering
benzene
molecular dynamics
acids
Computer simulation
simulation
Molecules
Acids
molecules
Modulation
Scattering
analogs
modulation
stearic acid
curves
scattering

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Electronic, Optical and Magnetic Materials

Cite this

Molecular dynamics simulation analysis of small-angle neutron scattering by a solution of stearic acid in benzene. / Eremin, R. A.; Kholmurodov, Kh T.; Petrenko, V. I.; Rosta, L.; Avdeev, M. V.

In: Physics of the Solid State, Vol. 56, No. 1, 2014, p. 81-85.

Research output: Contribution to journalArticle

Eremin, R. A. ; Kholmurodov, Kh T. ; Petrenko, V. I. ; Rosta, L. ; Avdeev, M. V. / Molecular dynamics simulation analysis of small-angle neutron scattering by a solution of stearic acid in benzene. In: Physics of the Solid State. 2014 ; Vol. 56, No. 1. pp. 81-85.
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