Abstract
A molecular dynamics simulation was performed for spherical and cylindrical hexadecyltrimethylammonium chloride micelles in aqueous solutions containing admixtures of isopropanol, acetone, and sodium benzoate. Local particle (atom, atomic group, and ion) density profiles were obtained depending on the distance to the center of a micelle. The stationary size of aggregates was determined, and the micelle surface area per surfactant polar head was estimated.
Published Version
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