Simulating the self-assembly of Gemini (Dimeric) surfactants

S. Karaborni, K. Esselink, P.A.J. Hilbers, B. Smit, J. Karthäuser, N.M. Os, van, R. Zana

Research output: Contribution to journalArticleAcademicpeer-review

276 Citations (Scopus)

Abstract

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.
Original languageEnglish
Pages (from-to)254-256
Number of pages3
JournalScience
Volume266
Issue number5183
DOIs
Publication statusPublished - 1994

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Surface-Active Agents
Self assembly
Micelles
Industrial applications
Molecular dynamics
Cleaning
Viscosity
Soils
Molecules
Computer simulation

Cite this

Karaborni, S., Esselink, K., Hilbers, P. A. J., Smit, B., Karthäuser, J., Os, van, N. M., & Zana, R. (1994). Simulating the self-assembly of Gemini (Dimeric) surfactants. Science, 266(5183), 254-256. https://doi.org/10.1126/science.266.5183.254
Karaborni, S. ; Esselink, K. ; Hilbers, P.A.J. ; Smit, B. ; Karthäuser, J. ; Os, van, N.M. ; Zana, R. / Simulating the self-assembly of Gemini (Dimeric) surfactants. In: Science. 1994 ; Vol. 266, No. 5183. pp. 254-256.
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abstract = "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.",
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Karaborni, S, Esselink, K, Hilbers, PAJ, Smit, B, Karthäuser, J, Os, van, NM & Zana, R 1994, 'Simulating the self-assembly of Gemini (Dimeric) surfactants', Science, vol. 266, no. 5183, pp. 254-256. https://doi.org/10.1126/science.266.5183.254

Simulating the self-assembly of Gemini (Dimeric) surfactants. / Karaborni, S.; Esselink, K.; Hilbers, P.A.J.; Smit, B.; Karthäuser, J.; Os, van, N.M.; Zana, R.

In: Science, Vol. 266, No. 5183, 1994, p. 254-256.

Research output: Contribution to journalArticleAcademicpeer-review

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Karaborni S, Esselink K, Hilbers PAJ, Smit B, Karthäuser J, Os, van NM et al. Simulating the self-assembly of Gemini (Dimeric) surfactants. Science. 1994;266(5183):254-256. https://doi.org/10.1126/science.266.5183.254