(270c) Hydrodeoxygenation of Furfural over Multifunctional Catalysts
However, the 2-methylfuran (2MF) product may further react over Ru, giving undesirable 2-methyltetrahydrofuran (MTHF) and 2-pentanol, and consuming valuable hydrogen . Moreover, RuO2 is reduced to metallic Ru under reaction conditions, resulting in the suppression of the HDO reaction. For these reasons, we have developed an alternative catalyst for the HDO of furfural to 2MF. To do this, we correlate the intrinsic HDO rates and the catalyst stability over a series of oxides with bulk and surface DFT descriptors and we choose an active and stable oxide. Extensive catalyst characterization, including microscopy, XPS, XRD, and XAS, is conducted. In a parallel effort, we correlate the selectivity of monometallic and bimetallic catalysts with the descriptors using correlations for thermochemistry and kinetics, such as group additivity and Polanyi relations. These studies demonstrate volcano like behavior and reveal best materials for HDO of biomass molecules.
1. Panagiotopoulou, Vlachos. Appl. Catal A: General, 480 (2014) 17-24
2. Jae, et al. ChemCatChem, 6 (2014) 848-856
3. Mironenko and Vlachos. J. Am. Chem. Soc. (2016) 2016, 138, 8104â8113
4. Gilkey, et al. (2016) ChemSusChem, 9, 3113-3121