Dataset from the study of effect of bio-oil on the ketonisation of propionic acid over metal oxide catalysts into 3-pentanone a biofuel precursor

Description

Biomass-derived compounds and pyrolysis bio-oils would play a crucial role in meeting the globally goal towards decarbonization of the aviation industry through sustainable aviation fuel (SAF). The carbon number of carboxylic acids abundant in biomass pyrolysis bio-oils is mostly within C1-C3, which falls short of gasoline and aviation fuels hydrocarbon range. These carboxylic acids require C-C coupling via ketonisation and then, aldol condensation to produce elongated and branched chain precursors with similar carbon-chain to match gasoline and jet fuel (C6-C16). This dataset was obtained from solvent-free ketonisation of propionic acid, one of the abundant short-chain carboxylic acids found in biomass pyrolysis bio-oils using synthesised ZrO2, SiO2-ZrO2, and SiO2 catalysts at 300-400 ᵒC for 0-210 min in a stirred batch reactor. The data elucidates the different side reactions such as isomerisation, alkylation, cleavage of C-C bond, and cross ketonisation resulting in isomeric, straight, and branched ketones (C4-C7) with selectivity of about 9.2%, limiting selectivity towards 3-pentanone, the propionic acid self-ketonisation product. The influence of these side reactions during the ketonisation process was shown by data on conversion, selectivity, and yield metrics on 3-pentanone and other ketones, allowing performance evaluation of the oxide catalysts. The data indicates that these side reactions are dependent on reaction temperature, reaction time, and amphoteric nature of the catalyst. The data provides support for the robustness, activeness, and selectiveness of ZrO2 in the ketonisation of short-chain carboxylic acids into fuel-range ketone precursors in the presence of 50 wt% bio-oil. The industrial concept of bio-oil upgrading via ketonisation is reinforced by the data on propionic acid plus bio-oil reactions and hydrodeoxygenation

Steps to reproduce

The experimental design is based on one factor at a time (OFAT) methodology. Propionic acid ketonisation was carried out using 100 mL stirred batch reactor (Parr Instrument Company, IL, USA), 15 g propionic acid, 1.0 g catalyst loading (ZrO2, SiO2, and SiO2–ZrO2), 500 rpm stirring rate, and pressurized initially to 10 bar nitrogen or hydrogen. The reaction time was optimized by experimenting at 350 ᵒC from 0 to 210 min for step size of 60 min, and the optimization of reaction temperature at 180 min from 300 to 400 ᵒC for 50 ᵒC interval under nitrogen atmosphere. The effect of bio-oil was conducted using 50/50 weight mixture with propionic acid. The produced liquid after the ketonisation reaction was analysed using gas chromatograph-mass spectrometer (GC-MS) instruments (Shimadzu GCMS – QP2010 SE). Calibration curves prepared using 20, 40, 60, 80, and 100 µL of propionic acid/3-pentanone per 1.6 mL acetone (vol/vol) ratios was utilised to quantify the unconverted propionic acid and produced 3-pentanone [1]. The data were tabulated and analysed using Microsoft spreadsheets. The conversion and yield were calculated using Equations 1 and 2, while the selectivity of each product identified by the GC-MS liquid composition analysis was determine using Equation 3. Conversion [%]= (moles of propionic acid converted)/(mole of propionic acid fed into the reactor) ×100 (Equation 2) Product yield [%]= 〖Moles〗_(3-pentanone)/〖Moles〗_(Propionic acid) ×100 (Equation 3) Selectivity [%]= (Peak Area of component i)/(Total Peak Area of all Components in liquid product) ×100 (Equation 3) The oxide catalysts ZrO2 and SiO2 were via precipitation method, while co-precipitation was used for the mixed oxides (ZrO2-SiO2) at a ratio of 1:1, using sodium meta-silicate nanohydrate (Na2SiO3.9H2O), zirconyl chloride octahydrate (ZrOCl2·8H2O), aqueous solution of ammonium hydroxide, NH4OH (50 % vol/vol), and hydrochloric acid (HCl) [1]. The synthesised materials were calcined at 500 ᵒC for 4 h in air. The nitrogen sorption and crystallinity were determined using Quantachrome Instruments NOVA 4200 and X-ray diffraction (XRD) technique (Bruker D8 Advance A25) [5].

Institutions

Categories

Funding

Related Links

Licence