The Interplay between the Temperature and Pressure on the Reaction Pathways of the Prenol Oxidation by Hydroxyl Radicals.

Autor: Nascimento JL; Departamento de Físico-Química, Instituto de Química, Universidade Federal da Bahia - Salvador, Bahia, 40170-115, Brazil., Junior ASL; Departamento de Físico-Química, Instituto de Química, Universidade Federal da Bahia - Salvador, Bahia, 40170-115, Brazil., Alves TV; Departamento de Físico-Química, Instituto de Química, Universidade Federal da Bahia - Salvador, Bahia, 40170-115, Brazil.
Jazyk: angličtina
Zdroj: Chemphyschem : a European journal of chemical physics and physical chemistry [Chemphyschem] 2024 Jul 15; Vol. 25 (14), pp. e202400341. Date of Electronic Publication: 2024 Jun 15.
DOI: 10.1002/cphc.202400341
Abstrakt: Despite prenol emerging as a next-generation biofuel, some questions about its mechanism still need to be adequately proposed to rationalize its consumption and evaluate its efficiency in spark-ignition (SI) engines. Here, we present new insights into the reaction mechanism of prenol (3-methyl-2-buten-1-ol) with OH radicals as a function of temperature and pressure. We have determined that the different temperature and pressure conditions control the preferred products. At combustion temperatures and low pressures, OH-addition adducts are suppressed, increasing the formation of α and δ allylic radicals responsible for the auto-ignition.
(© 2024 Wiley-VCH GmbH.)
Databáze: MEDLINE
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