Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 351270
Title Self-consistent field modeling of linear non-ionic micelles
Author(s) Jodar-Reyes, A.B.; Leermakers, F.A.M.
Source The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical 110 (2006)12. - ISSN 1520-6106 - p. 6300 - 6311.
DOI https://doi.org/10.1021/jp056737y
Department(s) Physical Chemistry and Colloid Science
VLAG
Publication type Refereed Article in a scientific journal
Publication year 2006
Keyword(s) sodium dodecyl-sulfate - molecular-dynamics simulations - interacting chain molecules - water oil interface - aqueous-solutions - statistical thermodynamics - cationic surfactants - computer-simulation - persistence length - octanoate micelle
Abstract A self-consistent field theory is used to predict structural, mechanical, and thermodynamical properties of linear micelles of selected nonionic surfactants of the type CnEm. Upon increase in surfactant concentration the sudden micelle shape transition from spherical to cylindrical (second critical micelle concentration (cmc)) is analyzed. The cylindrical micelles consist of a body (with radius Rc and length L) and two slightly swollen endcaps. For small L, the shape resembles a dumbbell. With increase in the length of the body, an oscillatory behavior in the grand potential of the micelle is found. The wavelength of the oscillation (¿d) is proportional to the surfactant tail length n. The amplitude of these oscillations decreases exponentially with a decay length ¿. In the limit of very long micelles, the grand potential converges to the endcap (free) energy Ec. This endcap energy increases approximately quadratic with the tail length and diminishes by increasing the headgroup size m. The micelle size distribution is generated showing non-monotonic features due to the presence of short dumbbells and becomes exponential when L ¿ 8R c. It is also shown that the endcap energy can be estimated in first order by the grand potential of the spherical micelle that coexists with infinitely long cylindrical micelles. The persistence length lp of these linear micelles is evaluated to estimate the relative importance of conformational entropy for these micelles
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