Computer Simulation of Luminophore Solubilization in Reverse Micelles

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Computer Simulation of Luminophore Solubilization in Reverse Micelles. / Kopanichuk, I. V.; Vanin, A. A.; Ostras’, A.; Brodskaya, E. N.

In: Colloid Journal, Vol. 80, No. 3, 06.2018, p. 266-271.

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

BibTeX

@article{1f1b2f777e154f50ac1a8394b0dcf518,

title = "Computer Simulation of Luminophore Solubilization in Reverse Micelles",

abstract = "The solubilization of ionic (sodium naphthalene-2,6-disulfonate) and nonionic (diethyl 2,5-dihydroxyterephthalate) organic luminophores in water–isooctane–Na (sodium 1,4-bis[(2-ethylhexyl) oxy]-1,4-dioxybutane-2-sulfonate) reverse micelles is simulated by the molecular dynamics method. In a stationary state, the localization of luminophore molecules in a micelle appears to be the same irrespective of their initial positions in the system. The position and orientation of solubilized luminophores relative to a reverse micelle depend on the hydrophobicity and the capability for dissociation of the functional groups of their molecules, the size of the reverse micelle, and the structure of its electrical double layer.",

keywords = "IN-OIL MICROEMULSIONS, MOLECULAR-DYNAMICS, WATER, PHOTOPHYSICS",

author = "Kopanichuk, {I. V.} and Vanin, {A. A.} and A. Ostras{\textquoteright} and Brodskaya, {E. N.}",

note = "Kopanichuk, I.V., Vanin, A.A., Ostras{\textquoteright}, A. et al. Computer Simulation of Luminophore Solubilization in Reverse Micelles. Colloid J 80, 266–271 (2018). https://doi.org/10.1134/S1061933X18030067",

year = "2018",

month = jun,

doi = "10.1134/S1061933X18030067",

language = "English",

volume = "80",

pages = "266--271",

journal = "Colloid Journal",

issn = "1061-933X",

publisher = "Pleiades Publishing",

number = "3",

}

RIS

TY - JOUR

T1 - Computer Simulation of Luminophore Solubilization in Reverse Micelles

AU - Kopanichuk, I. V.

AU - Vanin, A. A.

AU - Ostras’, A.

AU - Brodskaya, E. N.

N1 - Kopanichuk, I.V., Vanin, A.A., Ostras’, A. et al. Computer Simulation of Luminophore Solubilization in Reverse Micelles. Colloid J 80, 266–271 (2018). https://doi.org/10.1134/S1061933X18030067

PY - 2018/6

Y1 - 2018/6

N2 - The solubilization of ionic (sodium naphthalene-2,6-disulfonate) and nonionic (diethyl 2,5-dihydroxyterephthalate) organic luminophores in water–isooctane–Na (sodium 1,4-bis[(2-ethylhexyl) oxy]-1,4-dioxybutane-2-sulfonate) reverse micelles is simulated by the molecular dynamics method. In a stationary state, the localization of luminophore molecules in a micelle appears to be the same irrespective of their initial positions in the system. The position and orientation of solubilized luminophores relative to a reverse micelle depend on the hydrophobicity and the capability for dissociation of the functional groups of their molecules, the size of the reverse micelle, and the structure of its electrical double layer.

AB - The solubilization of ionic (sodium naphthalene-2,6-disulfonate) and nonionic (diethyl 2,5-dihydroxyterephthalate) organic luminophores in water–isooctane–Na (sodium 1,4-bis[(2-ethylhexyl) oxy]-1,4-dioxybutane-2-sulfonate) reverse micelles is simulated by the molecular dynamics method. In a stationary state, the localization of luminophore molecules in a micelle appears to be the same irrespective of their initial positions in the system. The position and orientation of solubilized luminophores relative to a reverse micelle depend on the hydrophobicity and the capability for dissociation of the functional groups of their molecules, the size of the reverse micelle, and the structure of its electrical double layer.

KW - IN-OIL MICROEMULSIONS

KW - MOLECULAR-DYNAMICS

KW - WATER

KW - PHOTOPHYSICS

UR - http://www.scopus.com/inward/record.url?scp=85048047430&partnerID=8YFLogxK

UR - http://link.springer.com/10.1134/S1061933X18030067

UR - http://www.mendeley.com/research/computer-simulation-luminophore-solubilization-reverse-micelles

U2 - 10.1134/S1061933X18030067

DO - 10.1134/S1061933X18030067

M3 - Article

AN - SCOPUS:85048047430

VL - 80

SP - 266

EP - 271

JO - Colloid Journal

JF - Colloid Journal

SN - 1061-933X

IS - 3

ER -

ID: 36319317