Simulating the Self-Assembly of Gemini (Dimeric) Surfactants

The morphologies and dynamics of aggregates formed by surfactant molecules are known to influence strongly performance properties spanning biology, household cleaning, and soil cleanup. Molecular dynamics simulations were used to investigate the morphology and dynamics of a class of surfactants, the...

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Bibliographic Details
Published in:Science (American Association for the Advancement of Science) 1994-10, Vol.266 (5183), p.254-256
Main Authors: Karaborni, S., Esselink, K., Hilbers, P. A. J., Smit, B., Karthäuser, J., van Os, N. M., Zana, R.
Format: Article
Language:English
Subjects:
Chemistry
Curvature
Cylinders
Exact sciences and technology
Fractions
General and physical chemistry
Inhalants
Lennard Jones potential
Micelles
Molecular chains
Molecules
Particle interactions
Self assembly
Simulation
Surface active agents
Surface physical chemistry
Surface-active agents: properties
Surfactants
Viscosity
Water
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Summary:The morphologies and dynamics of aggregates formed by surfactant molecules are known to influence strongly performance properties spanning biology, household cleaning, and soil cleanup. Molecular dynamics simulations were used to investigate the morphology and dynamics of a class of surfactants, the gemini or dimeric surfactants, that are of potential importance in several industrial applications. Simulation results show that these surfactants form structures and have dynamic properties that are drastically different from those of single-chain surfactants. At the same weight fraction, single-chain surfactants form spherical micelles whereas gemini surfactants, whose two head groups are coupled by a short hydrophobic spacer, form thread-like micelles. Simulations at different surfactant concentrations indicate the formation of various structures, suggesting an alternative explanation for the unexpected viscosity behavior of gemini surfactants.
ISSN:0036-8075
1095-9203
DOI:10.1126/science.266.5183.254