A molecular dynamics study of fuel droplet evaporation in sub- and supercritical conditions

Evaporation processes of a fuel droplet under sub- and supercritical ambient conditions have been studied using molecular dynamics (MD) simulations. Suspended n-dodecane droplets of various initial diameters evaporating into a nitrogen environment are considered. Both ambient pressure and temperature are varied from sub- to supercritical values, crossing the critical condition of the chosen fuel. Temporal variation in the droplet diameter is obtained and the droplet lifetime is recorded. The time at which supercritical transition happens is determined by calculating the temperature and concentration distributions of the system and comparing with the critical mixing point of the n-dodecane/nitrogen binary system. The dependence of evaporation characteristics on ambient conditions and droplet size is quantified. It is found that the droplet lifetime decreases with increasing ambient pressure and/or temperature Supercritical transition time decreases with increasing ambient pressure and temperature as well. The droplet heat-up time as well as subcritical to supercritical transition time increases linearly with the initial droplet size d(0), while the droplet lifetime increases linearly with d(0)(2). A regime diagram is obtained, which indicates the subcritical and supercritical regions as a function of ambient temperature and pressure as well as the initial droplet size. (C) 2018 by The Combustion Institute. Published by Elsevier Inc.