Advanced Science • Vol 10 • No 23
Systematic Mining and Evaluation of the Sesquiterpene Skeletons as High Energy Aviation Fuel Molecules
June 2023 • Yanglei Huang, Ziling Ye, Xiukun Wan, Ge Yao, Jingyu Duan, Jiajia Liu, Mingdong Yao, Xiang Sun, Zixin Deng, Kun Shen, Hui Jiang, Tiangang Liu
Abstract Sesquiterpenes have been identified as promising ingredients for aviation fuels due to their high energy density and combustion heat properties. Despite the characterization of numerous sesquiterpene structures, studies testing their performance properties and feasibility as fuels are scarce. In this study, 122 sesquiterpenoid skeleton compounds, obtained from existing literature reports, are tested using group contribution and gaussian quantum chemistry methods to assess their potential as high‐energy av…