Experimental and theoretical study of the thermal decomposition of ethyl acetate during fast pyrolysis

Diana C. Vargas, Sebastián Salazar, José R. Mora, Kevin M. Van Geem, Daniela Almeida Streitwieser

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

12 Citas (Scopus)

Resumen

The thermal decomposition of ethyl acetate was experimentally studied in a newly designed fast pyrolysis set-up. The results were compared to theoretical calculations and literature values in order to proof the experimental concept. The reaction was carried out in a free fall tubular reactor with a residence time of 0.15 s. The identification and quantification of products stream composition was performed online using a GC-TCD/FID. First, an overview of the reaction rate at feed volumes of 0.25, 0.50 and 0.75 mL was obtained at reaction temperature between 400 to 600 °C in intervals of 50 °C. As a result mass transfer limitation for feeds larger than 0.5 mL were identified. For the second approach, a constant feed volume of 0.25 mL and temperatures between 420 to 550 °C were investigated. Using the experimental results, a global kinetic model is proposed for the thermal decomposition of ethyl acetate into ethylene and acetic acid through a first order unimolecular reaction. Also, theoretical calculations were performed at ωB97XD/6-311++G(d,p) level. A concerted mechanism through a six-membered transition state was identified in the reaction path. The theoretical and experimental activation energy values lie within the literature values between 193 and 213 kJ/mol.

Idioma originalInglés
Páginas (desde-hasta)153-161
Número de páginas9
PublicaciónChemical Engineering Research and Design
Volumen157
DOI
EstadoPublicada - may. 2020

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