In recent years, comprehensive two-dimensional gas chromatography (GC× GC) has been
gradually gaining prominence as a preferred method for the analysis of complex samples …

The push toward sustainable aviation fuels (SAFs) is intensifying in response to global
decarbonization efforts. This review discusses the development and assessment of …

Liquid fuels such as gasoline, kerosene, or diesel exhibit a very complex chemical
composition. The transition toward a sustainable world requires the development of novel …

Isomeric structural differences can profoundly influence hydrocarbon properties of
importance to aviation turbine fuels. This is particularly true for alternative fuels that often …

In the present work, we report the development and use of models to predict the cetane
number of hydrocarbons and oxygenated compounds, mixtures, and their blends. The study …

In this study, we focus on the development of Quantitative Structure-Property Relationship
(QSPR) models to predict the critical micelle concentration (CMC) for per-and polyfluoroalkyl …

Quantitative structure–property relationship (QSPR) model development driven by emerging
machine learning (ML) shows promise for accelerating design and preparation of jet fuels …

This study presents a computational methodology for determining the Derived Cetane
Number (DCN) of practical aviation fuels. The proposed approach integrates a novel …

Biomass conversion to fuels and chemicals is crucial to decarbonization, but choosing an
advantageous upgrading pathway out of many options is challenging. Rigorously evaluating …

This work presents an advanced computer-aided molecular design framework by
considering the molecular structure of fuels as the fundamental design degree of freedom …