Thermal Decomposition of Tricresyl Phosphate on Ferrous Surfaces

Tricresyl phosphate (TCP) forms protective films on moving mechanical components through thermally driven decomposition and interactions with the ferrous surfaces of components. These reactions are hidden from view in interfaces, but known to be sensitive both surface material isomeric form TCP. Here, temperature-programmed reaction spectroscopy (TPRS) gas chromatography-mass (GC-MS) complemented by reactive molecular dynamics (MD) simulations investigate thermal meta para isomers TCP reacting materials. Key observations that primary product is cresol, more cresol generated Fe2O3 than Fe3O4, para-TCP meta-TCP isomers. trends explained using identify multiple pathways leading formation. The likelihood each pathway quantified correlated isomer terms energy barriers for rate-limiting steps reactions.