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Updated: Apr 12, 2026

A Microfluidic Approach for the Study of Ice and Clathrate Hydrate Crystallization
Published on: August 18, 2022
Molecular simulations of heterogeneous ice nucleation. II. Peeling back the layers
Stephen J Cox1, Shawn M Kathmann2, Ben Slater1
1Thomas Young Centre and Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ, United Kingdom.
Abstract:
Coarse grained molecular dynamics simulations are presented in which the sensitivity of the ice nucleation rate to the hydrophilicity of a graphene nanoflake is investigated. We find that an optimal interaction strength for promoting ice nucleation exists, which coincides with that found previously for a face centered cubic (111) surface. We further investigate the role that the layering of interfacial water plays in heterogeneous ice nucleation and demonstrate that the extent of layering is not a good indicator of ice nucleating ability for all surfaces. Our results suggest that to be an efficient ice nucleating agent, a surface should not bind water too strongly if it is able to accommodate high coverages of water.
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