Ice Ih vs. ice III along the homogeneous nucleation line

Physical Chemistry Chemical Physics : PCCP
Jorge R EspinosaE Sanz

Abstract

Pure water can be substantially supercooled below the melting temperature. The pressures and temperatures where water is observed to freeze in supercooling experiments define the so-called homogeneous nucleation line. The slope of such a line changes from negative to positive as pressure increases. In our work, we use computer simulations with the TIP4P/Ice water model to investigate such a change of slope. The simulation prediction for the melting and the homogeneous nucleation lines is in reasonable agreement with the experiment. We find, in accordance with a previous hypothesis, that the aforementioned slope sign inversion can be explained by a change in the nucleating ice polymorph from ice Ih to ice III. Moreover, we underline the kinetic character of the homogeneous nucleation line by defining different lines for different values of the nucleation rate. We analyse in detail the factors that affect the competition between ices Ih and III in the framework of classical nucleation theory.

References

Apr 20, 2004·Cryobiology·Gregory M FahyEric Zendejas
Feb 9, 2005·Physical Review Letters·Rosalind J AllenPieter Rein Ten Wolde
Jul 13, 2005·The Journal of Chemical Physics·J L F AbascalC Vega
Aug 11, 2005·Physical Review Letters·Daniele MoroniPeter G Bolhuis
Jul 13, 2006·The Journal of Physical Chemistry. a·Peter StöckelThomas Leisner
Oct 10, 2006·Physical Review Letters·Federica TruduMichele Parrinello
Sep 12, 1975·Science·H KannoC A Angell
Apr 25, 2008·The Journal of Chemical Physics·Eva G NoyaEnrique de Miguel
Dec 3, 2008·The Journal of Chemical Physics·Wolfgang Lechner, Christoph Dellago
Jul 29, 2009·Lab on a Chip·Claudiu A StanGeorge M Whitesides
Jun 11, 2010·Proceedings of the National Academy of Sciences of the United States of America·Yong-Sang ChoiJinwon Kim
Jun 11, 2010·Proceedings of the National Academy of Sciences of the United States of America·P J DeMottD C Rogers
Jun 26, 2010·Physical Chemistry Chemical Physics : PCCP·B J MurrayE J Murray
Mar 25, 2011·Physical Chemistry Chemical Physics : PCCP·Thomas LoertingDaniel T Bowron
Feb 2, 2012·Physical Chemistry Chemical Physics : PCCP·Daniel RzesankeThomas Leisner
Feb 23, 2012·Physical Chemistry Chemical Physics : PCCP·Alexandra MankaBarbara E Wyslouzil
Aug 31, 2012·Chemical Society Reviews·B J MurrayM E Webb
Nov 15, 2012·Journal of the American Chemical Society·Brandon C KnottBaron Peters
Dec 19, 2012·Cryobiology·G John Morris, Elizabeth Acton
Sep 10, 2013·Journal of the American Chemical Society·E SanzC Valeriani
May 24, 2015·The Journal of Chemical Physics·Jorge R EspinosaEduardo Sanz
Aug 5, 2015·Proceedings of the National Academy of Sciences of the United States of America·Amir Haji-Akbari, Pablo G Debenedetti
Sep 16, 2015·Journal of the American Chemical Society·Nils E R ZimmermannBaron Peters
Oct 10, 2015·The Journal of Chemical Physics·Alberto ZaragozaEduardo Sanz
Jan 24, 2016·The Journal of Chemical Physics·Jorge R EspinosaEduardo Sanz
Oct 8, 2016·Physical Review Letters·Jorge R EspinosaEduardo Sanz
Aug 12, 2017·The Journal of Chemical Physics·J R EspinosaC Vega
Dec 30, 2017·Physical Review Letters·S PipoloF Pietrucci
Jun 17, 2018·The Journal of Chemical Physics·Nils E R ZimmermannBaron Peters
Oct 27, 2018·Physical Review Letters·Philip C MyintJonathan L Belof

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Citations

Aug 9, 2021·The Journal of Chemical Physics·Laura LupiPaola Gallo

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