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Water and counterion structuring around cyclic anionic surfactant micelles in solution

Deeming, Laura LU ; Leaman, Niamh R. LU ; Bowron, Daniel T. ; Youngs, Tristan G.A. ; Poon, Jia Fei and Edler, Karen J. LU orcid (2026) In Journal of Colloid and Interface Science 717.
Abstract

Wide-angle neutron scattering analysed using empirical potential structure refinement (EPSR) was used to investigate how aromatic ring structure influences micelle self-assembly in two anionic surfactants: sodium 4-heptylbenzene sulfonate (SHBS) and sodium 5-heptylfuran-2-sulfonate (SHFS). Both surfactants formed globular micelles in aqueous solutions at 0.2 M but differed significantly in micelle architecture. SHBS micelles were compact and spherical, while SHFS formed more disordered aggregates with a broader spatial distribution of surfactant molecules within the micelle. EPSR-derived radial distribution functions revealed greater water penetration into the SHFS micelle interface and higher water coordination around the sulfonate... (More)

Wide-angle neutron scattering analysed using empirical potential structure refinement (EPSR) was used to investigate how aromatic ring structure influences micelle self-assembly in two anionic surfactants: sodium 4-heptylbenzene sulfonate (SHBS) and sodium 5-heptylfuran-2-sulfonate (SHFS). Both surfactants formed globular micelles in aqueous solutions at 0.2 M but differed significantly in micelle architecture. SHBS micelles were compact and spherical, while SHFS formed more disordered aggregates with a broader spatial distribution of surfactant molecules within the micelle. EPSR-derived radial distribution functions revealed greater water penetration into the SHFS micelle interface and higher water coordination around the sulfonate headgroup. These differences appear to arise from the structural and electronic properties of the headgroup region, rather than direct water hydrogen bonding to the furan ring. SHFS also exhibited reduced sodium counter ion association compared to SHBS. The results demonstrate that small changes to ring structure can substantially affect micelle packing and interfacial hydration, offering insight into how headgroup design can be used to tailor surfactant behaviour.

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Contribution to journal
publication status
published
subject
keywords
Headgroup effects, Micelles, Self-assembly, Sodium 4-heptylbenzene sulfonate, Sodium 5-heptylfuran-2-sulfonate, Wide-angle scattering
in
Journal of Colloid and Interface Science
volume
717
article number
140385
publisher
Academic Press
external identifiers
  • pmid:41932179
  • scopus:105035298850
ISSN
0021-9797
DOI
10.1016/j.jcis.2026.140385
language
English
LU publication?
yes
id
0565f48e-ee39-4bcf-b8ac-558aac6dfbce
date added to LUP
2026-04-29 15:18:19
date last changed
2026-06-24 19:25:29
@article{0565f48e-ee39-4bcf-b8ac-558aac6dfbce,
  abstract     = {{<p>Wide-angle neutron scattering analysed using empirical potential structure refinement (EPSR) was used to investigate how aromatic ring structure influences micelle self-assembly in two anionic surfactants: sodium 4-heptylbenzene sulfonate (SHBS) and sodium 5-heptylfuran-2-sulfonate (SHFS). Both surfactants formed globular micelles in aqueous solutions at 0.2 M but differed significantly in micelle architecture. SHBS micelles were compact and spherical, while SHFS formed more disordered aggregates with a broader spatial distribution of surfactant molecules within the micelle. EPSR-derived radial distribution functions revealed greater water penetration into the SHFS micelle interface and higher water coordination around the sulfonate headgroup. These differences appear to arise from the structural and electronic properties of the headgroup region, rather than direct water hydrogen bonding to the furan ring. SHFS also exhibited reduced sodium counter ion association compared to SHBS. The results demonstrate that small changes to ring structure can substantially affect micelle packing and interfacial hydration, offering insight into how headgroup design can be used to tailor surfactant behaviour.</p>}},
  author       = {{Deeming, Laura and Leaman, Niamh R. and Bowron, Daniel T. and Youngs, Tristan G.A. and Poon, Jia Fei and Edler, Karen J.}},
  issn         = {{0021-9797}},
  keywords     = {{Headgroup effects; Micelles; Self-assembly; Sodium 4-heptylbenzene sulfonate; Sodium 5-heptylfuran-2-sulfonate; Wide-angle scattering}},
  language     = {{eng}},
  publisher    = {{Academic Press}},
  series       = {{Journal of Colloid and Interface Science}},
  title        = {{Water and counterion structuring around cyclic anionic surfactant micelles in solution}},
  url          = {{http://dx.doi.org/10.1016/j.jcis.2026.140385}},
  doi          = {{10.1016/j.jcis.2026.140385}},
  volume       = {{717}},
  year         = {{2026}},
}