https://nova.newcastle.edu.au/vital/access/ /manager/Index en-au 5 https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:51853 Thu 21 Sep 2023 09:40:56 AEST ]]> https://nova.newcastle.edu.au/vital/access/ /manager/Repository/uon:29772 2O₃(0001) surface toward formation of phenolic EPFRs, under conditions relevant to cooling down zones of combustion systems. We show that, molecular adsorption of phenol on α-Al₂O₃(0001) entails binding energies in the range of −202 kJ/mol to −127 kJ/mol. The dehydroxylated alumina catalyzes the conversion of phenol into its phenolate moiety with a modest activation energy of 48 kJ/mol. Kinetic rate parameters, established over the temperature range of 300 to 1000 K, confirm the formation of the phenolate as the preferred pathways for the adsorption of phenol on alumina surfaces, corroborating the role of particulate matter in the cooling down zone of combustion systems in the generation of EFPRs.]]> Sat 24 Mar 2018 07:30:33 AEDT ]]>