The phase transition from subcritical to supercritical conditions, referred to as transcritical behavior, significantly impacts the evaporation and fuel–air mixing in high-pressure liquid-fuel propulsion systems. Transcritical behavior is characterized as a transition from classical two-phase evaporation to a single-phase gas-like diffusion regime as surface tension and latent heat of vaporization reduce. However, the interfacial behavior represented by the surface tension coefficient and evaporation rate during this transition which are crucial inputs for Computational Fluid Dynamics (CFD) simulations of practical transcritical fuel spray is still missing. This study aims at developing new evaporation rate and surface tension models for transcritical n-dodecane droplets using molecular dynamics (MD) simulations irrespective of the droplet size. As MD simulations are primarily limited to the nanoscale, the new models can bridge the gap between MD and continuum simulations and enable the direct application of these findings to microscopic droplets. A new characteristic timescale, i.e., “undroplet time,” is defined which marks the transition from classical two-phase evaporation to single-phase gas-like diffusion behavior. The undroplet time indicates the onset of droplet core disintegration and penetration of nitrogen molecules into the droplet, which occurs after the vanishment of the surface tension. By normalizing the time with respect to the undroplet time, the rate of surface tension decay, evaporation rate, and the rate of droplet mass depletion become independent of the droplet size. Calculation of pairwise correlation coefficients for the entire MD results shows that both surface tension coefficient and evaporation rate are strongly correlated with the background temperature, while pressure and droplet size play a less significant role past the critical point. Therefore, new models for surface tension coefficient and evaporation rate spanning from sub- to supercritical conditions are developed as a function of background pressure and temperature, which can be used in continuum simulations. The identified phase change behavior based on the undroplet time shows a good agreement with the phase change regime maps obtained using microscale experiments and nanoscale MD predictions.
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Vaporizable endoskeletal droplets via tunable interfacial melting transitions
Liquid emulsion droplet evaporation is of importance for various sensing and imaging applications. The liquid-to-gas phase transformation is typically triggered thermally or acoustically by low–boiling point liquids, or by inclusion of solid structures that pin the vapor/liquid contact line to facilitate heterogeneous nucleation. However, these approaches lack precise tunability in vaporization behavior. Here, we describe a previously unused approach to control vaporization behavior through an endoskeleton that can melt and blend into the liquid core to either enhance or disrupt cohesive intermolecular forces. This effect is demonstrated using perfluoropentane (C 5 F 12 ) droplets encapsulating a fluorocarbon (FC) or hydrocarbon (HC) endoskeleton. FC skeletons inhibit vaporization, whereas HC skeletons trigger vaporization near the rotator melting transition. Our findings highlight the importance of skeletal interfacial mixing for initiating droplet vaporization. Tuning molecular interactions between the endoskeleton and droplet phase is generalizable for achieving emulsion or other secondary phase transitions, in emulsions.
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- Award ID(s):
- 1623947
- NSF-PAR ID:
- 10190544
- Date Published:
- Journal Name:
- Science Advances
- Volume:
- 6
- Issue:
- 14
- ISSN:
- 2375-2548
- Page Range / eLocation ID:
- eaaz7188
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Journal Article:
- https://doi.org/10.1126/sciadv.aaz7188
