Atomic-level insights into transition mechanism of dominant mixing modes of multi-component fuel droplets: From evaporation to diffusion

For a multi-component hydrocarbon mixture under supercritical conditions, especially for fuels injected into compression ignition engines, the mechanism transition of dominant mixing mode from evaporation to diffusion is not well established. In this paper, processes six-component fuel (13.16 mol% toluene, 13.81 n-decane, 22.30 n-dodecane, 24.60 n-tetradecane, 14.66 n-hexadecane and 11.47 n-octadecane) droplet in nitrogen environments were studied using molecular dynamics (MD) simulations, comparison with those three-component single-component droplets. The ambient pressure ranged 2 MPa 16 temperature 750 K 1350 K. Results indicated that characteristics mixed linearly weighted average physical properties individual components based on their mole fractions. reason why there limitation maximum when dominates fuel-ambient gas process high pressures has been discussed. resultant force atom an component increases increasing or decreasing at temperature, will gradually dominate fuel. clustering behavior conditions also