Computational predictions of interfacial tension, surface tension, and surfactant adsorption isotherms
(2024)
Journal Article
All-atom (AA) molecular dynamics (MD) simulations are employed to predict interfacial tensions (IFT) and surface tensions (ST) of both ionic and non-ionic surfactants. The general AMBER force field (GAFF) and variants are examined in terms of their p... Read More about Computational predictions of interfacial tension, surface tension, and surfactant adsorption isotherms.