Computer Simulation of Luminophore Solubilization in Reverse Micelles

I. V. Kopanichuk, A. A. Vanin, A. Ostras’, E. N. Brodskaya

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

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
StatePublished - Jun 2018

Scopus subject areas

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

Keywords

  • IN-OIL MICROEMULSIONS
  • MOLECULAR-DYNAMICS
  • WATER
  • PHOTOPHYSICS

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