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American Mineralogist

Journal of Earth and Planetary Materials

Ed. by Baker, Don / Xu, Hongwu / Swainson, Ian


IMPACT FACTOR 2017: 2.645

CiteScore 2018: 2.55

SCImago Journal Rank (SJR) 2018: 1.355
Source Normalized Impact per Paper (SNIP) 2018: 1.103

Online
ISSN
1945-3027
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Volume 98, Issue 10

Issues

Determination of the melting temperature of kaolinite by means of the Z-method

Brahim K. Benazzouz
  • LGCgE-(EA 4515) Lille Nord de France, Polytech’Lille, Université des Sciences et de la Technologie de Lille, Cité Scientifique, Avenue Paul Langevin, 59655 Villeneuve D’Ascq Cedex, France
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Ali Zaoui
  • Corresponding author
  • LGCgE-(EA 4515) Lille Nord de France, Polytech’Lille, Université des Sciences et de la Technologie de Lille, Cité Scientifique, Avenue Paul Langevin, 59655 Villeneuve D’Ascq Cedex, France
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  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Anatoly B. Belonoshko
  • Condensed Matter Theory, Department of Theoretical Physics, AlbaNova University Center, Royal Institute of Technology (KTH), 106 91 Stockholm, Sweden
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2015-03-07 | DOI: https://doi.org/10.2138/am.2013.4379

Abstract

The melting temperature of materials is an important thermodynamic property. Despite the importance of kaolinite, one of the most common clay minerals on the Earth’s surface, its thermal and melting behavior is poorly understood.

We apply here the Z-method to determine the melting temperature (Tm) and the limit of superheating (TLS) of kaolinite. The Tm is found at 1818 K (8.85 GPa), and TLS at 1971 K (6.8 GPa). The diffusion coefficient for all atoms has been calculated in a broad temperature range. The calculated characteristics and, in particular, their dependence on temperature have confirmed the solid-liquid transition and strongly support the calculated melting point. In addition, some computed quantities, such as the radial distribution function, coordination numbers and mean-square displacement, were used to confirm the liquid state of kaolinite from the melting temperature as well as at other temperatures in the liquid branch. The diffusion coefficient for different atoms has been calculated throughout the isochore. These quantities and in particular their evolution under temperature have confirmed the solid-liquid states of kaolinite and the presence of the melting point. The latter quantity constitutes the first ever melting simulation of a clay mineral with close agreement to the experimental one.

Keywords : Kaolinite; melting; molecular dynamics; Z-method

About the article

Received: 2012-10-10

Accepted: 2013-06-04

Published Online: 2015-03-07

Published in Print: 2013-10-01


Citation Information: American Mineralogist, Volume 98, Issue 10, Pages 1881–1885, ISSN (Online) 1945-3027, ISSN (Print) 0003-004X, DOI: https://doi.org/10.2138/am.2013.4379.

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© 2015 by Walter de Gruyter Berlin/Boston.

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