Developing Sustainable Aviation Fuels (SAFs), with decreased CO<sub>2</sub> and soot emissions, will be pivotal to the on-going mitigation efforts against global warming. Minimizing aromatics in aviation fuel is desirable because of the high propensity of aromatics to produce soot during combustion. Because aromatics cause o-rings to swell, they are important for maintaining seal swelling, and must be present in at least 8 vol% under current standards. Recently, cycloalkanes have been shown to swell o-rings, thus making them an attractive substitute for aromatics. Cycloalkanes must meet the specifications for other physical properties to be compatible with jet fuel, and these properties can vary greatly with the cycloalkane chemical structure making their selection difficult. The work presented in this paper develops SPRs by building a data set that includes physical properties important to the aviation industry. The physical properties considered are energy density, specific energy, melting point, density, flashpoint, and the Hansen solubility parameter. In addition, our data set includes cycloalkanes drawn from the following structural groups: fused cycloalkanes, n-alkylcycloalkanes, branched cycloalkanes, multiple substituted cycloalkanes, and cycloalkanes with different ring sizes. One major finding is that ring expanded systems, those with more than 6 carbons, have excellent potential for inclusion in SAFs

Building structure-property relationships of cycloalkanes in support of their use in sustainable aviation fuels

ACS Spring 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.