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Title: Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory

Abstract

In the present study, we investigate the process of evaporative cooling of nanometer-sized droplets in vacuum using molecular dynamics simulations with the TIP4P/2005 water model. The results are compared to the temperature evolution calculated from the Knudsen theory of evaporation which is derived from kinetic gas theory. The calculated and simulation results are found to be in very good agreement for an evaporation coefficient equal to unity. Lastly, our results are of interest to experiments utilizing droplet dispensers as well as to cloud micro-physics.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [1]
+ Show Author Affiliations
  1. AlbaNova Univ. Center, Stockholm Univ., Stockholm (Sweden)
  2. AlbaNova Univ. Center, Stockholm Univ., Stockholm (Sweden); AlbaNova Univ. Center, KTH Royal Institute of Technology, Stockholm (Sweden)
  3. AlbaNova Univ. Center, Stockholm Univ., Stockholm (Sweden); SLAC National Accelerator Lab., Menlo Park, CA (United States)
Publication Date:
Research Org.:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1251394
Grant/Contract Number:  
621-2011-4223
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 144; Journal Issue: 12; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; fluid drops; evaporation; kinetic theory; molecular dynamics; thermodynamic properties

Citation Formats

Schlesinger, Daniel, Sellberg, Jonas A., Nilsson, Anders, and Pettersson, Lars G. M. Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory. United States: N. p., 2016. Web. doi:10.1063/1.4944387.
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Schlesinger, Daniel, Sellberg, Jonas A., Nilsson, Anders, & Pettersson, Lars G. M. Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory. United States. https://doi.org/10.1063/1.4944387
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Schlesinger, Daniel, Sellberg, Jonas A., Nilsson, Anders, and Pettersson, Lars G. M. Tue . "Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory". United States. https://doi.org/10.1063/1.4944387. https://www.osti.gov/servlets/purl/1251394.
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@article{osti_1251394,
title = {Evaporative cooling of microscopic water droplets in vacuo: Molecular dynamics simulations and kinetic gas theory},
author = {Schlesinger, Daniel and Sellberg, Jonas A. and Nilsson, Anders and Pettersson, Lars G. M.},
abstractNote = {In the present study, we investigate the process of evaporative cooling of nanometer-sized droplets in vacuum using molecular dynamics simulations with the TIP4P/2005 water model. The results are compared to the temperature evolution calculated from the Knudsen theory of evaporation which is derived from kinetic gas theory. The calculated and simulation results are found to be in very good agreement for an evaporation coefficient equal to unity. Lastly, our results are of interest to experiments utilizing droplet dispensers as well as to cloud micro-physics.},
doi = {10.1063/1.4944387},
journal = {Journal of Chemical Physics},
number = 12,
volume = 144,
place = {United States},
year = {Tue Mar 22 00:00:00 EDT 2016},
month = {Tue Mar 22 00:00:00 EDT 2016}
}
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https://doi.org/10.1063/1.4944387
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    Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics
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    Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics
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    • Perakis, Fivos; Camisasca, Gaia; Lane, Thomas J.
    • Deutsches Elektronen-Synchrotron, DESY, Hamburg
    • DOI: 10.3204/pubdb-2018-01959
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