Assessment of ethanol autoxidation as a drop-in kerosene and surrogates blend with a new modelling approach

Bioethanol has been considered as a more sustainable alternative for fossil fuels, and it has been used as a drop-in fuel mixture. In this paper, the autoxidation properties of real kerosene as well as single, binary and ternary surrogates with the presence of ethanol are investigated for the first time. A simplified python code is proposed to predict the pressure drop of the PetroOXY method that was used for assessing the fuel autoxidation properties. The experimental results show that the addition of an ethanol concentration reduces the induction period of real kerosene while increasing that of surrogate mixtures. Also, the maximum pressure during the PetroOXY test increases with the increase of ethanol concentration. The model is able to predict the induction period of ethanol accurately by employing an automated reaction mechanism generator. A strategy to increase the autoxidation stability of ethanol by adding 1 g/L antioxidant has been evaluated. The efficiency of the antioxidants for ethanol is in the following order: PY > Decalin > DTBP > Tetralin > BHT > MTBP > BHA > TBHQ > PG.