Aggregation Behavior of Monomeric Surfactants and a Gemini Cationic Surfactant by NMR and Computer Simulation Data

Aggregation Behavior of Monomeric Surfactants and a Gemini Cationic Surfactant by NMR and... Aggregation of decyltrimethylammonium bromide and cetyltrimethylammonium bromide (CTAB) in D2O has been studied. Spin–lattice relaxation time and self-diffusion coefficient of surfactant molecules were measured at concentrations below and above surfactant critical micelle concentration. The aggregation properties of conventional surfactant, CTAB, examined by nuclear magnetic resonance (NMR) and molecular dynamic (MD) simulation, were compared with the properties of double-tail analog, N,N,N′,N′-tetramethyl-N,N′dihexadecyl-1,4-butan di-ammonium di-bromide (BCTA). Both NMR and computer simulation methods suggest that micellization is a stepwise process and the pre-micellar aggregates take place in a solution at concentration below critical micelle concentration. According to MD simulation Gemini surfactant, BCTA, forms worm-like micelles, whereas CTAB, which may be considered as its “monomer”, forms only elongated micelles. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Applied Magnetic Resonance Springer Journals

Aggregation Behavior of Monomeric Surfactants and a Gemini Cationic Surfactant by NMR and Computer Simulation Data

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Publisher
Springer Vienna
Copyright
Copyright © 2018 by Springer-Verlag GmbH Austria, part of Springer Nature
Subject
Physics; Solid State Physics; Spectroscopy/Spectrometry; Atoms and Molecules in Strong Fields, Laser Matter Interaction; Physical Chemistry; Organic Chemistry
ISSN
0937-9347
eISSN
1613-7507
D.O.I.
10.1007/s00723-018-1011-4
Publisher site
See Article on Publisher Site

Abstract

Aggregation of decyltrimethylammonium bromide and cetyltrimethylammonium bromide (CTAB) in D2O has been studied. Spin–lattice relaxation time and self-diffusion coefficient of surfactant molecules were measured at concentrations below and above surfactant critical micelle concentration. The aggregation properties of conventional surfactant, CTAB, examined by nuclear magnetic resonance (NMR) and molecular dynamic (MD) simulation, were compared with the properties of double-tail analog, N,N,N′,N′-tetramethyl-N,N′dihexadecyl-1,4-butan di-ammonium di-bromide (BCTA). Both NMR and computer simulation methods suggest that micellization is a stepwise process and the pre-micellar aggregates take place in a solution at concentration below critical micelle concentration. According to MD simulation Gemini surfactant, BCTA, forms worm-like micelles, whereas CTAB, which may be considered as its “monomer”, forms only elongated micelles.

Journal

Applied Magnetic ResonanceSpringer Journals

Published: Apr 24, 2018

References

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