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Science 14 October 1994:
Vol. 266. no. 5183, pp. 254 - 256
DOI: 10.1126/science.266.5183.254
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Articles

Simulating the Self-Assembly of Gemini (Dimeric) Surfactants

S. Karaborni 1, K. Esselink 1, P. A. J. Hilbers 1, B. Smit 1, J. Karthauser 1, N. M. van Os 1, and R. Zana 2

1 Shell Research B. V., Koninklijke/Shell-Labooratorium, Amsterdam, Post Office Box 38000,1030 BN Amsterdam, Netherlands
2 Institut Charles Sadron, Centre National de la Recherche Scientifique, 6 rue Boussingault, 67083 Strasbourg Cedex, France

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.

Submitted on June 20, 1994
Accepted on August 4, 1994


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