With the increasing concern about the effect of the rise in anthropogenically generated CO2 from non-renewable sources, there is a growing need to integrate renewable biofuel into our energy landscape. Furanic compounds represent a new generation of potential biofuels that can be produced from inedible cellulose. In this study we used shock tube measurements of reactions containing H and CH3 with 2,5-dimethylfuran. The reactions were also investigated using the CBS-QB3, G3, and G4 computational methods. The results, which are consistent with recent studies on H and OH reactions with 2,5-dimethylfuran, suggest that the dominant initial reaction pathway involves the addition of H or CH3 to the C2 site. However, for CH3 attack as the temperature increases, abstraction off of the methyl site becomes more favorable and is the dominant bimolecular reaction above ~1100 K.

Experimental and theoretical study of the reaction of 2,5-Dimethylfuran with H and CH<sub>3</sub>

247th National Meeting (2014)

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Experimental and theoretical study of the reaction of 2,5-Dimethylfuran with H and CH3

Experimental and theoretical study of the reaction of 2,5-Dimethylfuran with H and CH₃