Prediction of the flash points of multicomponent systems: Applications to solvent blends, gasoline, diesel, biodiesels and jet fuels

Fuel reformulation and the development of alternative fuels are currently topics of great interest. For example, gasoline can be reformulated for a reduction of emitted toxic pollutants. However, fossil and bio fuels are of complex compositions, and reformulation can dramatically affect the physical, chemical and safety properties of the fuel. Tools that can predict these properties are then of particular importance. In this work, we propose a general approach to accurately predict the flash points of complex fuels such as gasoline, jet fuels, diesels, and biofuels. The predictive method is based on a combination of Catoire – Naudet model with a fully predictive activity coefficient model. Excellent predictions of the flash points of mixtures are obtained for a broad variety of systems, when the COSMO-SAC dsp thermodynamic model is used. It can be used to predict the flash points of mixtures of various types of fuels: ex-fossil, first, second and third generation biofuels and their mixtures. The new approach can take into account the addition of molecules to a complex fuel when experimental measurements are not available, whatever the reasons are. The theoretical predictions confirm the experimental observation that a small amount of volatile compound such as ethanol can dramatically reduce the flash point of multicomponent fuels.