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On the microstructure of organic solutions of mono-carboxylic acids: Combined study by infrared spectroscopy, small-angle neutron scattering and molecular dynamics simulations. / Eremin, R.A.; Kholmurodov, K.T.; Petrenko, V.I.; Rosta, L.; Grigoryeva, N.A.; Avdeev, M.V.

In: Chemical Physics, Vol. 461, 2015, p. 1-10.

Research output: Contribution to journal › Article › peer-review

Harvard

Eremin, RA, Kholmurodov, KT, Petrenko, VI, Rosta, L, Grigoryeva, NA & Avdeev, MV 2015, 'On the microstructure of organic solutions of mono-carboxylic acids: Combined study by infrared spectroscopy, small-angle neutron scattering and molecular dynamics simulations', Chemical Physics, vol. 461, pp. 1-10. https://doi.org/10.1016/j.chemphys.2015.08.017

APA

Eremin, R. A., Kholmurodov, K. T., Petrenko, V. I., Rosta, L., Grigoryeva, N. A., & Avdeev, M. V. (2015). On the microstructure of organic solutions of mono-carboxylic acids: Combined study by infrared spectroscopy, small-angle neutron scattering and molecular dynamics simulations. Chemical Physics, 461, 1-10. https://doi.org/10.1016/j.chemphys.2015.08.017

Vancouver

Eremin RA, Kholmurodov KT, Petrenko VI, Rosta L, Grigoryeva NA, Avdeev MV. On the microstructure of organic solutions of mono-carboxylic acids: Combined study by infrared spectroscopy, small-angle neutron scattering and molecular dynamics simulations. Chemical Physics. 2015;461:1-10. https://doi.org/10.1016/j.chemphys.2015.08.017

Author

Eremin, R.A. ; Kholmurodov, K.T. ; Petrenko, V.I. ; Rosta, L. ; Grigoryeva, N.A. ; Avdeev, M.V. / On the microstructure of organic solutions of mono-carboxylic acids: Combined study by infrared spectroscopy, small-angle neutron scattering and molecular dynamics simulations. In: Chemical Physics. 2015 ; Vol. 461. pp. 1-10.

BibTeX

@article{3d6c9e64f2b64232b5df776b225fa9e2,
title = "On the microstructure of organic solutions of mono-carboxylic acids: Combined study by infrared spectroscopy, small-angle neutron scattering and molecular dynamics simulations",
abstract = "{\textcopyright} 2015 Elsevier B.V. The data of infrared spectroscopy (IR), molecular dynamics (MD) simulations and small-angle neutron scattering (SANS) have been combined to conclude about the nanoscale structural organization of organic non-polar solutions of saturated mono-carboxylic acids with different alkyl chain lengths for diluted solutions of saturated myristic (C14) and stearic (C18) acids in benzene and decalin. In particular, the degree of dimerization was found from the IR spectra. The structural anisotropy of the acids and their dimers was used in the treatment of the data of MD simulations to describe the solute-solvent interface in a cylindrical approximation and show its rather strong influence on SANS. The corresponding scattering length density profiles were used to fit the experimental SANS data comprising the information about the acid molecule isomerization. The SANS data from concentrated solutions showed a partial self-assembling of the acids within the nematic transition is different for two solven",
author = "R.A. Eremin and K.T. Kholmurodov and V.I. Petrenko and L. Rosta and N.A. Grigoryeva and M.V. Avdeev",
year = "2015",
doi = "10.1016/j.chemphys.2015.08.017",
language = "English",
volume = "461",
pages = "1--10",
journal = "Chemical Physics",
issn = "0301-0104",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - On the microstructure of organic solutions of mono-carboxylic acids: Combined study by infrared spectroscopy, small-angle neutron scattering and molecular dynamics simulations

AU - Eremin, R.A.

AU - Kholmurodov, K.T.

AU - Petrenko, V.I.

AU - Rosta, L.

AU - Grigoryeva, N.A.

AU - Avdeev, M.V.

PY - 2015

Y1 - 2015

N2 - © 2015 Elsevier B.V. The data of infrared spectroscopy (IR), molecular dynamics (MD) simulations and small-angle neutron scattering (SANS) have been combined to conclude about the nanoscale structural organization of organic non-polar solutions of saturated mono-carboxylic acids with different alkyl chain lengths for diluted solutions of saturated myristic (C14) and stearic (C18) acids in benzene and decalin. In particular, the degree of dimerization was found from the IR spectra. The structural anisotropy of the acids and their dimers was used in the treatment of the data of MD simulations to describe the solute-solvent interface in a cylindrical approximation and show its rather strong influence on SANS. The corresponding scattering length density profiles were used to fit the experimental SANS data comprising the information about the acid molecule isomerization. The SANS data from concentrated solutions showed a partial self-assembling of the acids within the nematic transition is different for two solven

AB - © 2015 Elsevier B.V. The data of infrared spectroscopy (IR), molecular dynamics (MD) simulations and small-angle neutron scattering (SANS) have been combined to conclude about the nanoscale structural organization of organic non-polar solutions of saturated mono-carboxylic acids with different alkyl chain lengths for diluted solutions of saturated myristic (C14) and stearic (C18) acids in benzene and decalin. In particular, the degree of dimerization was found from the IR spectra. The structural anisotropy of the acids and their dimers was used in the treatment of the data of MD simulations to describe the solute-solvent interface in a cylindrical approximation and show its rather strong influence on SANS. The corresponding scattering length density profiles were used to fit the experimental SANS data comprising the information about the acid molecule isomerization. The SANS data from concentrated solutions showed a partial self-assembling of the acids within the nematic transition is different for two solven

U2 - 10.1016/j.chemphys.2015.08.017

DO - 10.1016/j.chemphys.2015.08.017

M3 - Article

VL - 461

SP - 1

EP - 10

JO - Chemical Physics

JF - Chemical Physics

SN - 0301-0104

ER -

ID: 3958886