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Al3+ coordination in cryolitic melts: A computer simulation study

Abstract:
The structures of melts containing cryolite have proved difficult to confirm, despite decades of study, on account of the high temperatures and corrosiveness of these melts. Raman spectroscopy has so far provided the majority of the insight into the aluminium coordination environments, but some of its interpretations are still debated. In this paper we present the results of MD simulations on various NaF-AlF3 liquid mixtures using published potentials developed for the solid state and published Raman spectra.
Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Journal:
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES
Volume:
54
Issue:
10-11
Pages:
605-610
Publication date:
1999-01-01
ISSN:
0932-0784
URN:
uuid:dae3e0a2-fa01-4786-a011-ca5945af0c52
Source identifiers:
60150
Local pid:
pubs:60150
Language:
English
Keywords:

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