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

Luo, K; Xiao, G; Ma, X; Shuai, S; (2018) A molecular dynamics study of fuel droplet evaporation in sub- and supercritical conditions. Proceedings of the Combustion Institute 10.1016/j.proci.2018.09.020. Green open access

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Abstract

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 d0, while the droplet lifetime increases linearly with . 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.

Type: Article
Title: A molecular dynamics study of fuel droplet evaporation in sub- and supercritical conditions
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.proci.2018.09.020
Publisher version: https://doi.org/10.1016/j.proci.2018.09.020
Language: English
Additional information: This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Keywords: Droplet, Evaporation, Supercritical condition, Molecular dynamics simulations
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Engineering Science > Dept of Mechanical Engineering
URI: https://discovery.ucl.ac.uk/id/eprint/10061939
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