Sustainable Aviation Fuel Molecules from (Hemi)Cellulose: Computational Insights into Synthesis Routes, Fuel Properties, and Process Chemistry Metrics.

ABSTRACT: Production of sustainable aviation fuels (SAFs) can significantly reduce the aviation industry's carbon footprint. Current pathways that produce SAFs in significant volumes from ethanol and fatty acids can be costly, have a relatively high carbon intensity (CI), and impose sustainability challenges. There is a need for a diversified approach to reduce costs and utilize more sustainable feedstocks effectively. Here, we map out catalytic synthesis routes to convert furanics derived from the (hemi)cellulosic biomass to alkanes and cycloalkanes using automated network generation with RING and semiempirical thermochemistry calculations. We find >100 energy-dense C₈-C₁₆ alkane and cycloalkane SAF candidates over 300 synthesis routes; the top three are 2-methyl heptane, ethy

SUBMITTER: Chang CF 

PROVIDER: S-EPMC11351710 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature