DOI: 10.1039/d6me00084c ISSN: 2058-9689
Molecular system design: computationally mapping surfactant structure to interfacial properties in fire-fighting foams
Kyle I. Williamson, Timothy C. Schutt, Manoj K. Shukla, Katherine M. Hinnant, Loren C. Brown, Ramagopal AnanthThis work builds interpolative models to predict surfactant interface behavior for firefighting foam formulations on ethanol and gasoline fuels by combining design of experiment methodologies with molecular dynamic simulations.