2-methylfuran pyrolysis: Gas-phase modelling and soot formation

Alexandrino, Katiuska (Universidad de Zaragoza) ; Baena, Cristian ; Millera, Ángela (Universidad de Zaragoza) ; Bilbao, Rafael (Universidad de Zaragoza) ; Alzueta, María U. (Universidad de Zaragoza)

Resumen: Since the recent discoveries in the high efficiency production methods of 2, 5-dimethylfuran (2, 5-DMF) and 2-methylfuran (2-MF), and due to their good physicochemical properties, these alkylated furan derivatives have been highly considered as fuels or additives in gasoline and diesel engines. However, the cyclic structures of 2, 5-DMF and 2-MF may make them effective soot precursors. We have recently studied the capacity of 2, 5-DMF to form soot under different pyrolysis experimental conditions, in a flow reactor, and we now focus on the study of the capacity of 2-MF to form soot under the same conditions. In this way, a systematic investigation of the temperature and fuel concentration effects on the soot formed in the 2-MF pyrolysis was undertaken, in an atmospheric-pressure flow reactor, in the temperature range of 975–1475 K, and with 9000 and 18, 000 ppm of 2-MF (inlet total carbon of 45, 000 and 90, 000 ppm, respectively). The increase in the soot yield is favoured by the rise in both the temperature and the inlet 2-MF concentration, while the gas yield decreases as the temperature increases without a noticeable influence of the inlet 2-MF concentration. A gas-phase chemical kinetic model was proposed to describe both the pyrolysis of 2-MF and 2, 5-DMF. It was validated against the gas-phase data obtained in this work, as well as with a series of experimental data from literature including shock tube and flow reactors. Results show that 2-MF has a high capacity to form soot, and C4 species play a major role in the formation of intermediates that yield polycyclic aromatic hydrocarbons (PAH), well known as soot precursors. However, the soot yield in the 2-MF pyrolysis was found to be lower than that in the 2, 5-DMF pyrolysis, mainly because, according to modelling results, during the 2, 5-DMF pyrolysis the cyclopentadienyl radicals are highly formed, whose recombination yields directly naphthalene without any other intermediate.

Idioma: Inglés

DOI: 10.1016/j.combustflame.2017.10.017

Año: 2018

Publicado en: Combustion and Flame 188 (2018), 376-387
ISSN: 0010-2180

Factor impacto JCR: 4.12 (2018)

Categ. JCR: ENGINEERING, MULTIDISCIPLINARY rank: 10 / 88 = 0.114 (2018) - Q1 - T1
Categ. JCR: ENGINEERING, CHEMICAL rank: 23 / 137 = 0.168 (2018) - Q1 - T1
Categ. JCR: THERMODYNAMICS rank: 6 / 60 = 0.1 (2018) - Q1 - T1
Categ. JCR: ENGINEERING, MECHANICAL rank: 12 / 129 = 0.093 (2018) - Q1 - T1
Categ. JCR: ENERGY & FUELS rank: 30 / 103 = 0.291 (2018) - Q2 - T1

Factor impacto SCIMAGO: 1.29 - Energy Engineering and Power Technology (Q1) - Chemical Engineering (miscellaneous) (Q1) - Physics and Astronomy (miscellaneous) (Q1) - Fuel Technology (Q1) - Chemistry (miscellaneous) (Q1)

Financiación: info:eu-repo/grantAgreement/ES/DGA/GPT
Financiación: info:eu-repo/grantAgreement/ES/MINECO/BES-2013-063049
Financiación: info:eu-repo/grantAgreement/ES/MINECO-FEDER/CTQ2015-65226

Tipo y forma: Article (PostPrint)

Área (Departamento): Área Ingeniería Química (Dpto. Ing.Quím.Tecnol.Med.Amb.)
Área (Departamento): Área Tecnologi. Medio Ambiente (Dpto. Ing.Quím.Tecnol.Med.Amb.)