Enhancing 1-Hexene Reactivity Under Inhibitive Temperatures Using Ozone

This research delved into the oxidation chemistry of 1-hexene with and without the addition of O3 within a 350 -800 K temperature range using a near-atmospheric pressure jetstirred reactor.Using gas chromatography and mass spectrometry, the products were identified, revealing O3 ability to enhance fuel oxidation and enabling its significant conversion in typically inhibitive conditions (< 500 K and > 700 K).Due to the addition of O3, an efficient fuel conversion is noticed at the lowest temperatures, while a significant fuel reactivity persists in the high temperature zone where the negative temperature coefficient behavior is almost fully suppresses.The addition of O3 induces an increased production of aldehydes (formaldehyde, acetaldehyde, propanal, butanal and pentanal) and acids (pentanoic acid) at the lowest temperatures and amplifies the formation of several products (CO2, CO, butene, butyl-oxirane, 2-butanone, ethylene, methanol, ethanol, furan, acrolein, acetone, propene, butadiene, methyloxirane, ethyloxirane, pentane, methylvinylketone) at higher temperatures.A significant concentration of ketohydroperoxides is also formed below 500 K.Our experimental findings, compared to the simulations of an updated kinetic model, suggest that ozonolysis at low temperatures and the interaction of O-atoms from the thermal decomposition of O3 with oxidation products at high temperature are responsible of the fuel conversion enhancement by enriching the radical pool.The implications of this study spanning both combustion and atmospheric chemistry domains show that the incorporation of O3 promises enhanced combustion fuel efficiency and strengthen its potential in optimizing fuel blends, pioneering combustion strategies, and pollution control.