Issue 6, 2025

Molecular dynamics of evaporative cooling of water clusters

Abstract

The cooling of water clusters through evaporation into a vacuum is studied using classical molecular dynamics with the SPC water model, and the results are compared with macroscopic theory. A simple model based on the Hertz–Knudsen equation significantly underestimates cooling rates. A modified approach that accounts for the Kelvin equation provides better results. Further insight is gained by comparing temperatures derived from different degrees of freedom. While the rotational temperature of the clusters is only slightly lower than their internal temperature and decreases over time, the translational temperature of the clusters, considered as individual particles, remains nearly unchanged.

Graphical abstract: Molecular dynamics of evaporative cooling of water clusters

Article information

Article type
Paper
Submitted
16 Oct 2024
Accepted
13 Dec 2024
First published
13 Dec 2024
This article is Open Access
Creative Commons BY license

Phys. Chem. Chem. Phys., 2025,27, 2939-2947

Molecular dynamics of evaporative cooling of water clusters

M. Klíma, J. Janek and J. Kolafa, Phys. Chem. Chem. Phys., 2025, 27, 2939 DOI: 10.1039/D4CP03980G

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.

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