A molecular dynamic study of evaporation/supercritical-transition inter-relationship and multicomponents interaction for alkane/alcohol droplets

The behavior of droplets going through trans-critical conditions from subcritical to supercritical exhibits different features. influence multicomponent on the relationship between transition and evaporation has not been determined. In present work, molecular dynamic simulations for both single-component two-component hydrocarbon comprising alkanes (heptane, dodecane, hexadecane, which are abbreviated C7, C12, C16, respectively, in paper) alcohol (n-butanol, is BuOH), whose diameters 30 nm, conducted under various conditions. To ensure efficiency accuracy, nitrogen atmosphere. rate quantified by temporal declining maximum fuel mole fraction, measured reduction their radius. inter-relationship mainly influenced ambient pressure, where becomes more dominant with higher pressure. Furthermore, separate phase-change processes spatial stratification phenomena discovered n-butanol/hexadecane droplets. Ultimately, comparing regions binary corresponding unary droplets, intercomponent interaction process discussed.