Journal article icon

Journal article

The 'polymeric' structure of BeCl2 from an ionic simulation model

Abstract:

A polarizable ionic potential for BeCl2 is obtained from potentials developed previously to represent other group IIa chlorides, simply by scaling the cation radii. The BeCl2 potential reproduces the known structure of the isolated molecule and crystal and is used in simulations of the melt and molten mixtures with the 'network modifier' KCl. The simulations show that the quasi-polymeric molecules, consisting of chains of edge-sharing BeCl4 tetrahedra, which are known in the crystal, persist ...

Expand abstract
Publication status:
Published

Actions


Access Document


Publisher copy:
10.1080/002689797170400

Authors


More by this author
Institution:
University of Oxford
Department:
Oxford, MPLS, Chemistry, Physical and Theoretical Chem
Madden, PA More by this author
Journal:
MOLECULAR PHYSICS
Volume:
92
Issue:
2
Pages:
197-210
Publication date:
1997-10-10
DOI:
ISSN:
0026-8976
URN:
uuid:6ffc1ea4-537c-4790-b2b9-86df7be80c3c
Source identifiers:
60177
Local pid:
pubs:60177

Terms of use


Metrics



If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP