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

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生物质衍生化合物与热解生物油，可通过可持续航空燃料（SAF）在达成全球航空业脱碳目标的进程中发挥核心作用。生物质热解生物油中含量丰富的羧酸类物质，其碳数多集中于C1~C3区间，无法匹配汽油与航空燃料的烃类碳链范围要求。此类短链羧酸需通过酮化反应与羟醛缩合反应完成碳-碳偶联，以生成碳链长度适配汽油与喷气燃料（C6~C16）的长链支化前驱体。本数据集源自丙酸的无溶剂酮化反应：丙酸是生物质热解生物油中含量较高的短链羧酸之一，实验采用合成制备的二氧化锆（ZrO2）、二氧化硅-二氧化锆（SiO2-ZrO2）与二氧化硅（SiO2）催化剂，在300~400 ℃、搅拌式间歇反应器中进行0~210分钟的反应，获取得到相关实验数据。实验数据揭示了多种副反应路径，包括异构化、烷基化、碳-碳键断裂以及交叉酮化反应，可生成异构直链与支链酮类（C4~C7），总选择性约为9.2%，同时会降低丙酸自酮化产物3-戊酮的选择性。通过针对3-戊酮与其他酮类的转化率、选择性与产率指标数据，可清晰体现酮化过程中副反应的影响，进而实现氧化物催化剂的性能评价。数据表明，此类副反应受反应温度、反应时长以及催化剂两性性质的调控。当体系中添加50 wt%生物油时，本数据集验证了二氧化锆在短链羧酸酮化制备燃料级酮类前驱体过程中的稳定性、活性与选择性表现。丙酸与生物油的混合反应及加氢脱氧实验数据，进一步佐证了通过酮化反应升级生物油的工业化应用理念。