Molecular dynamics simulation of micellar aggregates in aqueous solution of hexadecyl trimethylammonium chloride with different additives
EM Piotrovskaya, AA Vanin, NA Smirnova - Molecular Physics, 2006 - Taylor & Francis
EM Piotrovskaya, AA Vanin, NA Smirnova
Molecular Physics, 2006•Taylor & FrancisMolecular dynamics simulations of spherical and cylindrical micelles in aqueous solutions of
hexadecyl trimethylammonium chloride with different additives (2-propanol, acetone and
sodium benzoate) were carried out. A dependence of the local density of the particles
(atoms, atom groups, and ions) on the distance from the center of the micelle was obtained.
The stationary aggregate size and the surface area per surfactant polar head in the micelle
were estimated.
hexadecyl trimethylammonium chloride with different additives (2-propanol, acetone and
sodium benzoate) were carried out. A dependence of the local density of the particles
(atoms, atom groups, and ions) on the distance from the center of the micelle was obtained.
The stationary aggregate size and the surface area per surfactant polar head in the micelle
were estimated.
Molecular dynamics simulations of spherical and cylindrical micelles in aqueous solutions of hexadecyl trimethylammonium chloride with different additives (2-propanol, acetone and sodium benzoate) were carried out. A dependence of the local density of the particles (atoms, atom groups, and ions) on the distance from the center of the micelle was obtained. The stationary aggregate size and the surface area per surfactant polar head in the micelle were estimated.