We calculate the surface energy of a micelle consisting of neutral and ionized dodecyldimethylamine oxides (DDAOs) by Monte Carlo simulation based on a lattice model of the micelle. We obtain the dependence of the surface energy on the fraction αM of ionized DDAO, the concentration CS, of salt in an aqueous solution and temperature T. We show that the hydrogen bond between DDAOs plays a significant role in determining the properties of micelles. In order to explain experiments, a DDAO molecule on the micelle surface is assumed to support two hydrogen bonds. We show that the continuous chain of the hydrogen bonds will be made on the surface in equilibrium. The surface energy takes its minimum at a specific value αM* of the concentration of ionized DDAO and αM* is shown to be an increasing function of Cs and a decreasing function of T.
|Number of pages||5|
|Journal||Journal of Physical Chemistry B|
|Publication status||Published - 1997 Jul 24|
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
- Materials Chemistry