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Artículo

Atmospheric oxidation of ethyl methyl carbonate: Kinetics and reaction mechanism

Rimondino, Guido NoéIcon ; Vila, Jesús AlbertoIcon ; Malanca, Fabio ErnestoIcon
Fecha de publicación: 10/2023
Editorial: Elsevier Science SA
Revista: Journal of Photochemistry and Photobiology A: Chemistry
ISSN: 1010-6030
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:
Físico-Química, Ciencia de los Polímeros, Electroquímica

Resumen

Ethyl methyl carbonate (EMC, CH3CH2OC(O)OCH3) is used industrially as an electrolyte for lithium-ion batteries and its production and use is expected to increase in the coming years, with a consequent increase in its atmospheric emissions. In this work, the photo-oxidation of EMC initiated by chlorine atoms in the gas phase was studied. The rate coefficient of the reaction between EMC and chlorine atom was determined by the relative method giving a mean value of (6.1 ± 0.5) × 10-12 cm3 molec-1 s−1. The products resulting from atmospheric photo-oxidation of EMC at 298 K and 760 torr total pressure were identified and quantified by infrared spectroscopy: CH3C(O)OC(O)OCH3 (35 %), CH3OC(O)OC(O)H (14 %), CH3OH (30 %), HC(O)OH (12 %), HC(O)H (6 %), CO2 (84 %), and CO (28 %). Theoretical calculations were performed using the Gaussian09 program to obtain the infrared spectra of the products not available in the literature. Finally, from the kinetic analysis and the observed products, an atmospheric reaction mechanism is here proposed.
Palabras clave: ATMOSPHERIC CHEMISTRY , DEGRADATION MECHANISM , INFRARED SPECTROSCOPY , ORGANIC CARBONATES , RATE COEFFICIENT
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info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/220264
URL: https://linkinghub.elsevier.com/retrieve/pii/S1010603023004598
DOI: http://dx.doi.org/10.1016/j.jphotochem.2023.114994
Colecciones
Articulos(CICTERRA)
Articulos de CENTRO DE INVEST.EN CS.DE LA TIERRA
Articulos(INFIQC)
Articulos de INST.DE INVESTIGACIONES EN FISICO- QUIMICA DE CORDOBA
Citación
Rimondino, Guido Noé; Vila, Jesús Alberto; Malanca, Fabio Ernesto; Atmospheric oxidation of ethyl methyl carbonate: Kinetics and reaction mechanism; Elsevier Science SA; Journal of Photochemistry and Photobiology A: Chemistry; 444; 10-2023; 114994-115002
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