Xylose dehydration to furfural using niobium doped δ-FeOOH as catalyst

The effect of modification of ?-FeOOH with niobium, applied to dehydration reaction of xylose, was evaluated by experimental and theoretical methods. The experimental data confirmed, namely the characteristic peaks in the X-ray diffractometer analysis, that the materials were obtained. Inductively coupled plasma mass spectrometry analysis defined the percentage of Nb as 0 for pure ?-FeOOH and 9.5 wt. % (?-FeOOH/Nb) for doped. In relation to obtaining furfural, the doped material presents a conversion improvement of 290 % when compared to pure catalyst. Theoretical calculations were useful in understanding the preferential route of the mechanisms proposed by the obtained potential energy values. To understand the preferred routes, the most favorable position of xylose in relation to ?-FeOOH was initially calculated. From this, the conditions favoring furfural formation were calculated based on the routes of the proposed mechanisms and the energy values indicated that the furfural formation is more likely to happen on the doped material.