Onwudili Jude A, Hart Abarasi, Patel Himanshu, Yildirir Eyup
Energy and Bioproducts Research Institute, College of Engineering and Physical Sciences, Aston University, Aston Triangle, Birmingham B4 7ET, United Kingdom.
Data Brief. 2025 Jul 18;61:111898. doi: 10.1016/j.dib.2025.111898. eCollection 2025 Aug.
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 C-C, 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 (C-C). 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 ZrO, SiO-ZrO, and SiO catalysts at 300-400 °C 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 (C-C) 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 the data on conversion of propionic acid, selectivities, and yields of 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 ZrO 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.
生物质衍生化合物和热解生物油将在通过可持续航空燃料（SAF）实现航空业全球脱碳目标方面发挥关键作用。生物质热解生物油中丰富的羧酸的碳原子数大多在C-C范围内，这低于汽油和航空燃料的烃类范围。这些羧酸需要通过酮化反应进行C-C偶联，然后通过羟醛缩合反应生成具有与汽油和喷气燃料相似碳链的延长和支链前体（C-C）。该数据集是在搅拌间歇反应器中，使用合成的ZrO、SiO-ZrO和SiO催化剂，在300-400°C下将丙酸（生物质热解生物油中发现的丰富的短链羧酸之一）进行无溶剂酮化反应0-210分钟获得的。该数据阐明了不同的副反应，如异构化、烷基化、C-C键断裂和交叉酮化反应，这些反应导致生成异构、直链和支链酮（C-C），选择性约为9.2%，限制了对丙酸自酮化产物3-戊酮的选择性。酮化过程中这些副反应的影响通过丙酸转化率、3-戊酮和其他酮的选择性及产率数据得以体现，从而能够对氧化物催化剂进行性能评估。数据表明这些副反应取决于反应温度、反应时间和催化剂的两性性质。该数据为ZrO在50 wt%生物油存在下将短链羧酸酮化为燃料范围的酮前体的稳健性、活性和选择性提供了支持。丙酸与生物油反应及加氢脱氧的数据强化了通过酮化进行生物油升级的工业概念。
