Computer Simulation of Luminophore Solubilization in Reverse Micelles

Research output

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.

Original languageEnglish
Pages (from-to)266-271
Number of pages6
JournalColloid Journal
Volume80
Issue number3
DOIs
Publication statusPublished - 1 May 2018

Fingerprint

Micelles
micelles
computerized simulation
Computer simulation
Sodium
sodium
Molecules
Naphthalene
Hydrophobicity
hydrophobicity
sulfonates
naphthalene
Functional groups
Molecular dynamics
molecules
dissociation
molecular dynamics

Scopus subject areas

  • Surfaces and Interfaces
  • Physical and Theoretical Chemistry
  • Colloid and Surface Chemistry

Cite this

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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.",
author = "Kopanichuk, {I. V.} and Vanin, {A. A.} and A. Ostras’ and Brodskaya, {E. N.}",
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T1 - Computer Simulation of Luminophore Solubilization in Reverse Micelles

AU - Kopanichuk, I. V.

AU - Vanin, A. A.

AU - Ostras’, A.

AU - Brodskaya, E. N.

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