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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/179911
Holistic approach to anti-knock agents: A high-throughput screening of aniline-like compounds
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The increasing concerns about greenhouse gas emissions are encouraging the search for efficient combustion technologies for transportation. A valuable strategy consists of tailoring the properties of fuels through addition of additives that might increase the octane number subject to the classification, labeling and packaging regu- lation of fuel quality. In this context, we present an integrated approach involving a high-throughput screening that relies on selected physicochemical factors of aniline-like compounds, measurements of structural resem- blance and susceptibility to participate in chemical reactions with radical species, in conjunction with production viability as well as environmental and toxicological risks. This process led to a final set of representative com- pounds that were chosen to explore their behavior as anti-knock additives. The suitability of these compounds was determined through assays performed to determine the impact on fuel volatility and RON booster efficiency in conjunction with a critical assessment of their eco/toxicological risk estimated by means of a safety index. This holistic strategy led to the identification of N-methyl-p-anisidine, N',N'-diethyl-2-methyl-p-phenylenediamine and N-nitroso-diphenylamine as promising anti-knock additives. This approach is proposed as an alternative strategy to the unsupervised experimental screening of fuel additives.
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VIAYNA GAZA, Antonio, GHASHGHAEI, Ouldouz, VÍLCHEZ PUYO, David, ESTARELLAS, Carolina, LÓPEZ, Manuel, GÓMEZ CATALÁN, Jesús, LAVILLA GRÍFOLS, Rodolfo, DELGADO, Jesús, LUQUE GARRIGA, F. xavier. Holistic approach to anti-knock agents: A high-throughput screening of aniline-like compounds. _Fuel_. 2021. Vol. 305, núm. 121518. [consulta: 7 de febrer de 2026]. ISSN: 0016-2361. [Disponible a: https://hdl.handle.net/2445/179911]