A comprehensive experimental and detailed chemical kinetic modelling study of 2, 5-dimethylfuran pyrolysis and oxidation

KP Somers, JM Simmie, F Gillespie, C Conroy… - Combustion and …, 2013 - Elsevier
The pyrolytic and oxidative behaviour of the biofuel 2, 5-dimethylfuran (25DMF) has been
studied in a range of experimental facilities in order to investigate the relatively unexplored …

The properties of a micro-reactor for the study of the unimolecular decomposition of large molecules

Q Guan, KN Urness, TK Ormond, DE David… - … Reviews in Physical …, 2014 - Taylor & Francis
A micro-reactor system (approximately 0.5–1 mm inner diameter by 2–3 cm in length)
coupled with photoionization mass spectrometry and matrix isolation/infrared spectroscopy …

Combustion pathways of biofuel model compounds: A review of recent research and current challenges pertaining to first-, second-, and third-generation biofuels

CJ Hayes, DR Burgess Jr, JA Manion - Advances in Physical Organic …, 2015 - Elsevier
In this chapter, we present a review of recent research of interest to biofuel combustion. An
overview of chemical kinetic mechanism development as it pertains to combustion chemistry …

Reactivity trends in furan and alkyl furan combustion

MA Eldeeb, B Akih-Kumgeh - Energy & fuels, 2014 - ACS Publications
A systematic study of the ignition behavior of furan and the substituted furans 2-methyl furan
(2-MF) and 2, 5-dimethyl furan (DMF) is presented. Ignition delay times are measured over a …

Broadband microwave spectroscopy of 2-furanyloxy radical: primary pyrolysis product of the second-generation biofuel 2-methoxyfuran

C Abeysekera, AO Hernandez-Castillo… - The Journal of …, 2018 - ACS Publications
Broadband microwave spectra over the 2–18 GHz range have been recorded for the
resonance-stabilized 2-furanyloxy radical, formed in the first step of pyrolysis of the second …

Thermochemistry of Furan and Its Derivatives: A High-Level Ab Initio Study

OV Dorofeeva, ON Ryzhova… - Journal of Chemical & …, 2024 - ACS Publications
The standard molar enthalpies of formation in the gas phase at T= 298.15 K for 43 furan
derivatives were calculated using the DLPNO–CCSD (T1)/CBS method in conjunction with …

Thermochemistry of hydroxyl and hydroperoxide substituted furan, methylfuran, and methoxyfuran

JM Hudzik, JW Bozzelli - The Journal of Physical Chemistry A, 2017 - ACS Publications
Reaction pathways are influenced by thermochemical properties, species stability, and
chemical kinetics. Understanding these factors allows for an understanding of the reaction …

Gas-phase pyrolysis of trans 3-pentenenitrile: competition between direct and isomerization-mediated dissociation

P Mishra, SM Fritz, S Herbers, AM Mebel… - Physical Chemistry …, 2021 - pubs.rsc.org
The flash pyrolysis of trans 3-pentenenitrile (3-PN, CH3–CHCH–CH2–CN) was studied by
combining the results of VUV photoionization mass spectra with broadband microwave …

Investigation of the Electronic and Vibrational Structures of the 2-Furanyloxy Radical Using Photoelectron Imaging and Photodetachment Spectroscopy via the Dipole …

YR Zhang, DF Yuan, LS Wang - The Journal of Physical Chemistry …, 2022 - ACS Publications
The 2-furanyloxy radical is an important chemical reaction intermediate in the combustion of
biofuels and aromatic compounds. We report an investigation of its electronic and vibrational …

Pyrolysis pathways of the furanic ether 2-methoxyfuran

KN Urness, Q Guan, TP Troy, M Ahmed… - The Journal of …, 2015 - ACS Publications
Substituted furans, including furanic ethers, derived from nonedible biomass have been
proposed as second-generation biofuels. In order to use these molecules as fuels, it is …