期刊
JOURNAL OF CHEMICAL PHYSICS
卷 142, 期 18, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4919715
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资金
- Engineering and Physical Sciences Research Council [EP/L000202/1] Funding Source: researchfish
- EPSRC [EP/L000202/1] Funding Source: UKRI
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. (C) 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
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