Molecular dynamics simulation of ice growth from supercooled pure water and from salt solution

Authors: Carignano, M.A.; Baskaran, E.; Shepson, P.B.; Szleifer, I.

Source: Annals of Glaciology, Volume 44, Number 1, November 2006 , pp. 113-117(5)

Publisher: International Glaciological Society

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Abstract:

The kinetics of ice growth on the prismatic and basal planes is studied by molecular dynamics simulations. The time evolution of two systems has been investigated. In one a slab of ice is initially in contact with supercooled water, while in the second the ice is in contact with a supercooled salt solution. The simulations were done at a temperature below the eutectic temperature, and complete solidification is observed. The total freezing time is longer in the systems with ions than in the systems with pure water. The final state for the salt systems always shows the formation of ion clusters. For the ionic system growing on the prismatic plane, an intermediate metastable state is observed before total solidification. The duration of this metastable state depends on the ability of the system to get all the ions participating in cluster formation. The simulations enable understanding of the mechanisms for ice formation under different solution conditions.

Document Type: Research article

DOI: http://dx.doi.org/10.3189/172756406781811646

Publication date: 2006-11-01

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The Annals of Glaciology is a peer-reviewed, thematic journal published 2 to 4 times a year by the International Glaciological Society (IGS). Publication frequency is determined and volume/issue numbers assigned by the IGS Council on a year-to-year basis and with a lead time of 3 to 4 years. The Annals of Glaciology is included in the ISI Science Citation Index from volume 50, number 50 onwards.
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Molecular dynamics simulation of ice growth from supercooled pure water and from salt solution

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