Interfacial Properties and Monolayer Collapse of Alkyl Benzenesulfonate Surfactant Monolayers at the Decane–Water Interface from Molecular Dynamics Simulations

The molecular structure of a surfactant molecule is known to have a great effect on the interfacial properties and the type of nanostructures formed. In this work, we have performed molecular dynamics simulations on six isomers of an alkyl benzenesulfonate surfactant to investigate the effect of the degree and position of aromatic substitution on the interfacial properties and on the collapse of the surfactant monolayer at a decane–water...