The influence of differential evaporation on the structure of a three-component biofuel spray

A high-pressure spray injected under gasoline engine conditions in a constant volume chamber is studied in detail using a three-dimensional computational fluid dynamics approach. Both single-component and ternary mixture (n-alkane and alcohols) spray results are compared with the experimental data from shadowgraphy, Schlieren imaging and phase-Doppler anemometry. Activity coefficient models are used to cover non-ideal thermodynamic effects occurring when mixtures of structurally dissimilar components such as alcohols and n-alkanes are considered. Here, the non-random, two-liquid and universal quasi-chemical functional group activity coefficients methods are applied. A ternary mixture composed of ethanol, n-butanol and n-hexane representing the research octane number (RON 95) of gasoline is considered and investigated in detail. To illustrate the non-ideal mixture effects, first the binary mixtures ethanol/n-butanol, n-butanol/n-hexane and ethanol/n-hexane are studied as subsets of the ternary mixture using a zero-dimensional single-droplet evaporation solver. Introducing a differential evaporation factor for multicomponent mixtures, the mixture segregation is characterized. Additionally, a separation factor indicating which component depletes first (volatility) is presented for both binary and ternary mixtures. The zero-dimensional results are then correlated with the three-dimensional computational fluid dynamics simulation results. Looking at the vapor-liquid equilibria of the different binary mixtures, the non-ideal effects are identified. The evaporation behavior of the binary mixtures is compared with the ternary mixtures in terms of droplet lifetimes, temperature and mixture decomposition, where the latter is characterized with the differential evaporation factor and separation factor. These results are afterwards compared with the three-dimensional computational fluid dynamics simulations, which are validated against the experimental data for single-component sprays regarding the liquid and vapor penetration depths. Finally, in the ternary mixture, n-butanol is replaced with iso-octane, the most widely used gasoline surrogate, to illustrate the differential evaporation behavior for a mixture with a higher alkane content than the ternary mixture used for the experiments. Strong non-ideal effects causing significant changes in the vapor composition are presented, as well as changes in the characterization factors, differential evaporation factor and the separation factor, respectively. These results are compared with the single-droplet simulations