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Polyamorphism and the evolution of intermediate-range order in molten ZnCl(2)

Abstract:

The pressure-and temperature-dependent properties of molten zinc chloride are investigated by means of molecular dynamics computer simulation. The potential model used is based on a pair potential augmented with a description of the (many-body) anion polarization. The static experimental and simulated structural properties are briefly reviewed. The structural properties obtained from the simulation model are compared with those obtained from experimental investigations and trends with the cha...

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Publication status:
Published

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Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Role:
Author
Volume:
20
Issue:
24
Pages:
244123-244123
Publication date:
2008-06-18
DOI:
EISSN:
1361-648X
ISSN:
0953-8984
URN:
uuid:472d769f-0754-4456-a00a-2a68560bce5a
Source identifiers:
60095
Local pid:
pubs:60095

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