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On the structure of an aqueous propylene glycol solution.

Abstract:

Using a combination of neutron diffraction and EPSR computational modelling, the interactions in a 30 mol% aqueous solution of propylene glycol (PG), which govern both the hydration and association of this molecule in solution, have been assessed. From this work it appears that PG is readily hydrated, where the most prevalent hydration interactions were found to be through both the PG hydroxyl groups but also alkyl groups typically considered hydrophobic. Hydration interactions of PG dominate...

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

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Publisher copy:
10.1063/1.4971208

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Department:
Oxford, MSD, Biochemistry
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Department:
Oxford, MSD, Biochemistry
Collins, LE More by this author
Callear, SK More by this author
Lawrence, MJ More by this author
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Publisher:
American Institute of Physics Publisher's website
Journal:
Journal of Chemical Physics Journal website
Volume:
145
Issue:
22
Pages:
224504
Publication date:
2016-12-05
Acceptance date:
2016-11-17
DOI:
ISSN:
1089-7690
Pubs id:
pubs:666594
URN:
uri:44369bf1-6c3e-4ac4-a033-b7b69429e391
UUID:
uuid:44369bf1-6c3e-4ac4-a033-b7b69429e391
Local pid:
pubs:666594
Language:
English
Keywords:

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