Molecular dynamics study on the interfacial characteristics in the process of sub/supercritical evaporation

SW Yang and GL Guo and MR Wei, JOURNAL OF MOLECULAR LIQUIDS, 368, 120693 (2022).

DOI: 10.1016/j.molliq.2022.120693

The evaporation processes of single droplet in the nitrogen/n-dodecane binary system were studied using molecular dynamics simulation. The evolution of the vapor-liquid interfacial region of the droplet and the thermodynamic and transport properties of the fluid in the interfacial region were investigated. The simulation results show that the increase of ambient temperature has a more promoting effect on the diffusion of supercritical fluid than that of ambient pressure. Both ambient temperature and pressure can accelerate the contraction of bulk liquid. The enthalpy increases linearly throughout the evaporation process with the temperature, but there is a bulge near the critical point, while the specific heat capacity at constant pressure meets jump near the critical point. Besides, the transport properties of the supercritical fluid are similar to gas. Therefore, the transport properties of the supercritical fluid can be regarded as that of gas in engineering application. (c) 2022 Elsevier B.V. All rights reserved.

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