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

Journal Article · · Journal of Chemical Physics
DOI:https://doi.org/10.1063/1.4944387· OSTI ID:1251394
ORCiD logo [1]; ORCiD logo [2];  [3]; ORCiD logo [1]
  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)

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.

Research Organization:
SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
621-2011-4223
OSTI ID:
1251394
Journal Information:
Journal of Chemical Physics, Vol. 144, Issue 12; ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 18 works
Citation information provided by
Web of Science

References (30)

Analysis of experimental data for the nucleation rate of water droplets journal July 2006
On the Kinetics of Evaporation journal April 1952
Kinetic theory analysis of steady evaporating flows from a spherical condensed phase into a vacuum journal June 1993
The evaporation coefficient of water: a review journal August 1997
Evaporation Coefficient of Liquids journal November 1967
Insight into the molecular mechanism of water evaporation via the finite temperature string method journal April 2013
Raman Thermometry Measurements of Free Evaporation from Liquid Water Droplets journal October 2006
Mass accommodation coefficient of water vapor on liquid water: MASS ACCOMMODATION journal November 2004
Accommodation coefficients for water vapor at the air/water interface journal July 2004
Water Evaporation: A Transition Path Sampling Study journal January 2013
Molecular Dynamics Studies on the Condensation Coefficient of Water journal February 2004
Temperature and structural changes of water clusters in vacuum due to evaporation journal October 2006
Mass Accommodation of Water: Bridging the Gap Between Molecular Dynamics Simulations and Kinetic Condensation Models journal January 2013
Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature journal June 2014
Anomalous Behavior of the Homogeneous Ice Nucleation Rate in “No-Man’s Land” journal July 2015
A general purpose model for the condensed phases of water: TIP4P/2005 journal December 2005
Advanced models of fuel droplet heating and evaporation journal January 2006
X-ray emission spectroscopy of bulk liquid water in “no-man’s land” journal January 2015
Ice nucleation by particles immersed in supercooled cloud droplets journal January 2012
A molecular beam study of the evaporation of water from a liquid jet journal June 1988
Die maximale Verdampfungsgeschwindigkeit des Quecksilbers journal January 1915
Surface tension of the most popular models of water by using the test-area simulation method journal April 2007
The Effect of Droplet Size on Surface Tension journal March 1949
Vapor Pressure of Water Nanodroplets journal March 2014
Vapor-liquid equilibria from the triple point up to the critical point for the new generation of TIP4P-like models: TIP4P/Ew, TIP4P/2005, and TIP4P/ice journal July 2006
GROMACS: Fast, flexible, and free journal January 2005
Instantaneous Liquid Interfaces journal February 2010
The melting point of ice Ih for common water models calculated from direct coexistence of the solid-liquid interface journal April 2006
Kinetic Theory Analysis of Steady Evaporating Flows from a Spherical Condensed Phase into a Vacuum. [球状凝縮相から真空中への定常蒸発流の気体論的解析] journal January 1993
Water Evaporation: A Transition Path Sampling Study text January 2012

Cited By (5)

Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics journal May 2018
Intermediate range O–O correlations in supercooled water down to 235 K journal June 2019
Temperature-Independent Nuclear Quantum Effects on the Structure of Water journal August 2017
Maxima in the thermodynamic response and correlation functions of deeply supercooled water journal December 2017
Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics text January 2018