Chemical reactions of oily sludge catalyzed by iron oxide under supercritical water gasification condition

Recent ReaxFF MD studies on pyrolysis and combustion mechanisms of aviation/aerospace fuels and energetic additives

“…They explored the formation kinetics of N 2 and its interaction with related free radicals during the carbonization of polymers using the improved CHON-2019 force field, determining the formation path of all-carbon rings, and put forward new insights into understanding how polymers evolve into graphene structures. Although ReaxFF has absorbed a large amount of metal [23][24][25] , non-metallic elements 26,27 in the process of continuous application to new fields, and developed a large number of force fields, which makes it applicable in most scientific research fields.…”

Probing the separation mechanism of solid–liquid components in oily sludge and sludge containing polymers for a harmless treatment process of sludge

“…The thermal oxidation degradation temperature of irreversible adsorption oil could reach 300 C. Que et al 3 analyzed the pyrolysis behavior and volatile products of oily cold rolling mill sludge by thermogravimetric analysis, infrared spectroscopy, gas chromatography/mass spectrometry and so on. Zhang et al 4 studied the mechanism of the degradation of oily sludge waste by an iron oxide catalyst. The migration pathway of the heteroatoms was investigated by the molecular dynamics method.…”