Eur. Phys. J. E 7, 317-324 (2002)
DOI: 10.1140/epje/i2002-10012-6
Association behaviour of glucitol amine gemini surfactants
Self-consistent-field theory and molecular-dynamics simulations
M.C.P. van Eijk1, M. Bergsma2 and S.-J. Marrink31 Lund University, Center for Chemistry and Chemical Engineering, Physical Chemistry 1, P. O. Box 124, 221 00 Lund, Sweden
2 University of Groningen, Stratingh Institute, Physical Organic Chemistry Unit, Nijenborgh 4, 9747 AG Groningen, The Netherlands
3 University of Groningen, Department of Biophysical Chemistry, Nijenborgh 4, 9747 AG Groningen, The Netherlands
marcel.vaneijk@cpkelco.com
bergsma@gmx.net
marrink@chem.rug.nl
(Received: 12 January 2002 and Received in final form 10 March 2002)
Abstract
The association behaviour of a number of glucitol amine gemini
surfactants has been investigated by means of molecular dynamics and
self-consistent-field calculations. We have shown that the titratable head
group of the surfactant is responsible for a micelle-to-membrane transition
when changing the
pH. Furthermore, the association structure of this group of
surfactants is shown to be very sensitive to ionic strength. The combination of
a charged head group, a spacer, and the hydrophilic glucitol side chains is
responsible for the possible structural transitions in the associates as a
function of ionic strength and
pH.
82.70.Uv - Surfactants, micellar solutions, vesicles, lamellae, amphiphilic systems (hydrophilic and hydrophobic interactions).
81.16.Dn - Self-assembly.
64.70.Nd - Structural transitions in nanoscale materials.
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2002
