Eun, Jina Kim, Jeonghun Kim, Han Byeol Kim, Do Heui Choi, Jae-Wook Kim, Kwang Ho Yoo, Chun-Jae Jin, Seongmin Kim, Kyeongsu Lee, Hyunjoo Kim, Chang Soo Lee, Kwan-Young Yoo, Jong Suk Han, Seo-Jung Jeong, Keunhong Ha, Jeong-Myeong 2025-05-22T06:00:50Z 2025-05-22T06:00:50Z 2025-05-21 2025-06 1463-9262 https://pubs.kist.re.kr/handle/201004/152472 Lignocellulose or lignin present significant potential as sustainable feedstocks to replace petroleum-derived resources through catalytic upgrading. Hydrodeoxygenation of phenolic molecules derived from lignocellulose or lignin can produce cycloalkanes, but often forms low-carbon-number hydrocarbons, which are more suitable for gasoline rather than high-carbon-number diesel or aviation fuels. This study investigates the production of high-carbon-number hydrocarbons in the aviation fuel range from lignin-derived compounds, using vanillin as a model. A two-step process was performed to achieve this: selective hydrogenation of vanillin to vanillyl alcohol and creosol using 1 wt% ruthenium on carbon, followed by non-catalytic condensation and subsequent hydrodeoxygenation of the condensates to cycloalkanes using 3 wt% ruthenium on HZSM-5. This process yielded C14 aviation fuel precursor (19%) and C14 deoxygenated hydrocarbon (5%) whereas the one-step process without the condensation step did not yield any C14 compounds. The reaction pathway was elucidated through density functional theory calculations and control experiments with intermediates, providing insights into the mechanisms of upgrading lignin-derived compounds for sustainable aviation fuel production. English Royal Society of Chemistry Production of high-carbon-number hydrocarbon bio-aviation fuels via catalytic hydrogenation of vanillin and non-catalytic condensation: a mechanistic study with DFT and experimental insights Article 10.1039/d5gc00281h 1 Green Chemistry, v.27, no.24, pp.7147 - 7159 Green Chemistry 27 24 7147 7159 Y scie scopus 001482629800001 2-s2.0-105004659801 Chemistry, Multidisciplinary Green & Sustainable Science & Technology Chemistry Science & Technology - Other Topics Article; Early Access SUPPORTS BIOMASS DIESEL MILD-TEMPERATURE HYDRODEOXYGENATION MODEL-COMPOUND OIL MODEL LIGNIN TRANSFORMATION