Numerical Approaches to Determine Cetane Number of Hydrocarbons and Oxygenated Compounds, Mixtures, and their Blends

B Creton, N Brassart, A Herbaut, M Matrat - Energy & Fuels, 2024 - ACS Publications
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 …

Explainable machine learning assisted design of tailor-made fuels using conjoint fingerprints

Y Chen, Z Lu, Z Yao, B Li, X Zhang, H Wang… - Energy Conversion and …, 2024 - Elsevier
This work presents an advanced computer-aided molecular design framework by
considering the molecular structure of fuels as the fundamental design degree of freedom …

Bayesaf: Emulation and Design of Sustainable Alternative Fuels Via Bayesian Inference and Descriptors-Based Machine Learning

J Liberatori, D Cavalieri, M Blandino… - Available at SSRN … - papers.ssrn.com
As part of mid-century net-zero carbon neutrality pathways, sustainable aviation fuels (SAFs)
constitute the only viable decarbonization strategy for commercial aviation in the …