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

Marcelo Carignano, E. Baskaran, P. B. Shepson, I. Szleifer

Research output: Contribution to journalArticle

17 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)113-117
Number of pages5
JournalAnnals of Glaciology
Volume44
DOIs
Publication statusPublished - 1 Dec 2006
Externally publishedYes

Fingerprint

salt
ice
solidification
simulation
ion
water
freezing
slab
temperature
kinetics

ASJC Scopus subject areas

  • Earth and Planetary Sciences (miscellaneous)

Cite this

Molecular dynamics simulation of ice growth from supercooled pure water and from salt solution. / Carignano, Marcelo; Baskaran, E.; Shepson, P. B.; Szleifer, I.

In: Annals of Glaciology, Vol. 44, 01.12.2006, p. 113-117.

Research output: Contribution to journalArticle

@article{f272c1bc3c0843f298472134efb26d94,
title = "Molecular dynamics simulation of ice growth from supercooled pure water and from salt solution",
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.",
author = "Marcelo Carignano and E. Baskaran and Shepson, {P. B.} and I. Szleifer",
year = "2006",
month = "12",
day = "1",
doi = "10.3189/172756406781811646",
language = "English",
volume = "44",
pages = "113--117",
journal = "Annals of Glaciology",
issn = "0260-3055",
publisher = "International Glaciology Society",

}

TY - JOUR

T1 - Molecular dynamics simulation of ice growth from supercooled pure water and from salt solution

AU - Carignano, Marcelo

AU - Baskaran, E.

AU - Shepson, P. B.

AU - Szleifer, I.

PY - 2006/12/1

Y1 - 2006/12/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=34249022609&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34249022609&partnerID=8YFLogxK

U2 - 10.3189/172756406781811646

DO - 10.3189/172756406781811646

M3 - Article

VL - 44

SP - 113

EP - 117

JO - Annals of Glaciology

JF - Annals of Glaciology

SN - 0260-3055

ER -