Eur. Phys. J. E 7, 317-324 (2002)
Association behaviour of glucitol amine gemini surfactants
Self-consistent-field theory and molecular-dynamics simulationsM.C.P. van Eijk1, M. Bergsma2 and S.-J. Marrink3
1 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
(Received: 12 January 2002 and Received in final form 10 March 2002)
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