Holistic approach to anti-knock agents: A high-throughput screening of aniline-like compounds
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 classificat...
| Autores: | , , , , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2021 |
| País: | España |
| Institución: | Varias* (Consorci de Biblioteques Universitáries de Catalunya, Centre de Serveis Científics i Acadèmics de Catalunya) |
| Repositorio: | Recercat. Dipósit de la Recerca de Catalunya |
| OAI Identifier: | oai:recercat.cat:2445/179911 |
| Acceso en línea: | https://hdl.handle.net/2445/179911 |
| Access Level: | acceso abierto |
| Palabra clave: | Gasolina Combustibles Anilina Gasoline Fuel Aniline |
| Sumario: | 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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