000163314 001__ 163314 000163314 005__ 20251024172259.0 000163314 0247_ $$2doi$$a10.1021/acs.energyfuels.5c01874 000163314 0248_ $$2sideral$$a145724 000163314 037__ $$aART-2025-145724 000163314 041__ $$aeng 000163314 100__ $$aRuiz-Gutiérrez, A.$$uUniversidad de Zaragoza 000163314 245__ $$aFlow Reactor Study of NH3/DEE Oxidation Chemistry 000163314 260__ $$c2025 000163314 5060_ $$aAccess copy available to the general public$$fUnrestricted 000163314 5203_ $$aThe pursuit of environmentally sustainable alternatives to conventional fuels is essential today. Ammonia emerges as a promising candidate, though its inherent disadvantages must be addressed. Co-firing ammonia with fuels exhibiting superior thermochemical properties is one of the most widely accepted solutions. The present study investigates the oxidation of ammonia and diethyl ether mixtures (NH3/DEE). To this end, a quartz flow reactor was employed at atmospheric pressure, within a temperature range of 875–1425 K. The oxygen excess ratio (λ) and the NH3/DEE mixture ratio were systematically varied during the experiments. The results show an increase in the reactivity of ammonia when mixed with DEE. During pyrolysis, DEE is inhibited by competition for H radicals, which are essential for initial conversion steps. DEE undergoes thermal decomposition without a significant radical pool, while NH3 reactivity remains low. With the increase of the oxygen excess ratio, fuel oxidation occurs at lower temperatures. Hydroxyl (OH) and atomic oxygen (O) radicals are crucial in NH3 oxidation, while the presence of DEE derivatives further promote this oxidation, although both fuels exhibit competitive behavior regarding radical consumption. Variations in λ do not cause a significant effect in the oxidation temperature of DEE, with OH radicals playing a central role in the minor differences observed. Hydrogen abstraction via interaction with H radicals is the most important consumption reaction of DEE, mainly occurring at the secondary carbon position. Conversely, the production and interaction of derivatives at other positions contribute to the most inhibitory reactions in DEE oxidation. The NH3/DEE ratio has a significant impact on ammonia oxidation, particularly under high DEE dilution conditions (NH3/DEE = 10). OH and H radicals drive oxidation, while an increased DEE concentration leads to CH3 radical formation, enhancing fuel consumption. A literature-based kinetic mechanism, modified in the present work, was employed to represent and interpret the current results accurately. 000163314 536__ $$9info:eu-repo/grantAgreement/ES/AEI/PID2021–12432OB-I00$$9info:eu-repo/grantAgreement/ES/DGA/T22-23R$$9info:eu-repo/grantAgreement/ES/MICINN PRE2022-104181$$9info:eu-repo/grantAgreement/EUR/MICINN/TED2021-129557B-I00 000163314 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttps://creativecommons.org/licenses/by/4.0/deed.es 000163314 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion 000163314 700__ $$aBello-Gallego, A. 000163314 700__ $$0(orcid)0000-0003-4679-5761$$aAlzueta, M. U.$$uUniversidad de Zaragoza 000163314 7102_ $$15005$$2790$$aUniversidad de Zaragoza$$bDpto. Ing.Quím.Tecnol.Med.Amb.$$cÁrea Tecnologi. Medio Ambiente 000163314 773__ $$g39, 34 (2025), 16407-16421$$pEnergy fuels$$tEnergy and Fuels$$x0887-0624 000163314 8564_ $$s4242450$$uhttps://zaguan.unizar.es/record/163314/files/texto_completo.pdf$$yVersión publicada 000163314 8564_ $$s2876776$$uhttps://zaguan.unizar.es/record/163314/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada 000163314 909CO $$ooai:zaguan.unizar.es:163314$$particulos$$pdriver 000163314 951__ $$a2025-10-24-16:56:58 000163314 980__ $$aARTICLE