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The structure of liquid alkali nitrates and nitrites

Abstract:

High energy X-ray diffraction has been combined with containerless techniques to determine the structure of a series of alkali and ammonium nitrate and nitrite liquids. The systems have been modelled using molecular dynamics simulation which allows for the flexibility of, and movement of charge within, the molecular anions. The model reproduces the experimentally-determined scattering functions in both the low- and high-Q regimes reflecting the inter- and intra-molecular length-scales. For am...

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Publication status:
Published
Peer review status:
Peer reviewed
Version:
Accepted Manuscript

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Publisher copy:
10.1039/C7CP03465B

Authors


Wilding, MC More by this author
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Department:
Brasenose College
Ribeiro, M More by this author
Benmore, CJ More by this author
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Grant:
Argonne National Laboratory under contract number DE-AC02-06CH11357
Publisher:
Royal Society of Chemistry Publisher's website
Journal:
Physical Chemistry Chemical Physics Journal website
Volume:
19
Issue:
32
Pages:
21625-21638
Publication date:
2017-07-26
Acceptance date:
2017-07-26
DOI:
EISSN:
1463-9084
ISSN:
1463-9076
Pubs id:
pubs:709377
URN:
uri:185c14bc-85f7-4448-a04e-28bc796b8641
UUID:
uuid:185c14bc-85f7-4448-a04e-28bc796b8641
Local pid:
pubs:709377

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