Adsorption of Octyl Cyanide at the Free Water Surface as Studied by Monte Carlo Simulation

• Published in: The journal of physical chemistry. B Vol. 111; no. 21; pp. 5885 - 5895
• Main Authors: Jedlovszky, Pál, Pártay, Lívia B
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 31.05.2007
• Subjects: Adsorption; Computer Simulation; Hydrogen Bonding; Monte Carlo Method; Nitriles - chemistry; Surface Properties; Water - chemistry

Monte Carlo simulations of the adsorption layer of octyl cyanide have been performed on the canonical (N, V, T) ensemble at 300 K. The systems simulated cover the range of octyl cyanide surface densities from 0.27 to 7.83 μmol/m2. The surface density value at which the saturation of the adsorption l...