From Surface Tension to Molecular Distribution: Modeling Surfactant Adsorption at the Air-Water Interface.

Surfactants are centrally important in many scientific and engineering fields and are used for many purposes such as foaming agents and detergents. However, many challenges remain in providing a comprehensive understanding of their behavior. Here, we provide a brief historical overview of the study of surfactant adsorption at the air-water interface, followed by a discussion of some recent advances in this area from our group. The main focus is on incorporating an accurate description of the adsorption layer thickness of surfactant at the air-water interface. Surfactants have a wide distribution at the air-water interface, which can have a significant effect on important properties such as the surface excess, surface tension, and surface potential. We have developed a modified Poisson-Boltzmann (MPB) model to describe this effect, which we outline here. We also address the remaining challenges and future research directions in this area. We believe that experimental techniques, modeling, and simulation should be combined to form a holistic picture of surfactant adsorption at the air-water interface.