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The Effect of Single-Atomic Ions on the Melting of Microscopic Ice Particles According to Molecular Dynamics Data
St Petersburg State Univ, St Petersburg 199034, Russia.
St Petersburg State Univ, St Petersburg 199034, Russia.
Uppsala University, Disciplinary Domain of Science and Technology, Chemistry, Department of Chemistry - Ångström, Structural Chemistry. Stockholm Univ, Arrhenius Lab, Dept Mat & Environm Chem, S-10691 Stockholm, Sweden.ORCID iD: 0000-0001-9783-4535
2018 (English)In: Colloid Journal of the Russian Academy of Science, ISSN 1061-933X, E-ISSN 1608-3067, Vol. 80, no 5, p. 484-491Article in journal (Refereed) Published
Abstract [en]

Molecular dynamics simulation of microscopic ice particles containing Ca2+, F-, Cl-, Na+, and Li+ ions has been performed in the temperature range of 20-200 K. For all the systems under consideration, phase and structural transformations accompanying their heating have been studied in detail, and the melting points have been determined. The main attention has been focused on the determination of the mechanisms of the effect of ions on the phase state of microcrystals.

Place, publisher, year, edition, pages
2018. Vol. 80, no 5, p. 484-491
National Category
Physical Chemistry Materials Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-365659DOI: 10.1134/S1061933X1805006XISI: 000444611500004OAI: oai:DiVA.org:uu-365659DiVA, id: diva2:1263363
Funder
Swedish Research Council
Note

Original Russian text published in Kolloidnyi Zhurnal, 2018, Vol. 80, No. 5, pp. 509–517.

Available from: 2018-11-15 Created: 2018-11-15 Last updated: 2018-11-15Bibliographically approved

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Laaksonen, Aatto

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