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

被引：4
|
作者：
Eremin R.A. [1 ,2 ]
Kholmurodov K.T. [1 ,3 ]
Petrenko V.I. [1 ,4 ]
Avdeev M.V. [1 ]
机构：
[1] Joint Institute for Nuclear Research, Dubna, Moscow oblast
[2] University Center Joint Institute for Nuclear Research, Dubna, Moscow oblast
[3] Dubna International University, Dubna, Moscow oblast
[4] Taras Shevchenko National University, Kyiv
来源：
Journal of Surface Investigation | 2013年 / 7卷 / 06期
基金：
俄罗斯基础研究基金会;
关键词：
Oleic Acid; Neutron Technique; Small Angle Neutron Scattering; Decalin; Solute Solvent Interaction;
D O I：
10.1134/S1027451013060281
中图分类号：
学科分类号：
摘要：
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. © 2013 Pleiades Publishing, Ltd.
引用
收藏
页码：1128 / 1132
页数：4
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