Gong, Y; Ma, X; Xiao, G; Luo, K; Xu, H; Shuai, S; (2022) Simulation on Phase Transitions of Multi-Component Fuel Droplets Under Sub- and Supercritical Conditions. Neiranji Xuebao/Transactions of CSICE (Chinese Society for Internal Combustion Engines) , 40 (6) pp. 519-527. 10.16236/j.cnki.nrjxb.202206065.

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Abstract

Phase transitions of three-component hydrocarbon fuel droplets in sub- and supercritical nitrogen environments were studied in detail using molecular dynamics simulations, in comparison with those of singlecomponent n-hexadecane droplets. The initial diameters of the two droplets were about 26 nm. The droplet evaporation lifetime, initial heat-up time and evaporation rate constant were analyzed for all simulation cases. A criterion to determine the dominant mixing mode of single/multi-component fuel in fuel-ambient gas mixing process was proposed. Effects of ambient temperature and ambient pressure on the transition of dominant mixing mode were discussed. The results show that, when the ambient pressure ranges from 2MPa to 10 MPa and the ambient temperature ranges from 750 K to 1 200 K, the density difference between the vapor phase and the liquid phase decreases gradually with increasing ambient pressure or decreasing ambient temperature. The dominant mixing mode gradually transitions from evaporation to diffusion, simultaneously. Dominant mixing mode partition maps on the p-T diagram for evaporation systems of n-hexadecane droplets and three-component fuel droplets were presented. Atomic-level insights into the differences between the mixing modes were obtained via the molecular distributions of fuel droplets.

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