An All-Atom Model of the Resorcinol-Formaldehyde Aerogel Skeleton from DFT and Molecular Dynamics: Validation and Iron Incorporation

Shoeb Athar, Jérémy Guazzagaloppa, Philippe Jund

Resorcinol-formaldehyde (RF) aerogels are lightweight, ultra-porous thermal superinsulators whose complex amorphous structure has not yet been described at the all-atom level. Here…