Pressure-induced mesoscopic disorder in protic ionic liquids: first computational study

It has been recently shown that pressure may affect the mesoscopic heterogeneity in aprotic ionic liquids, owing to the long alkyl chain folding on itself. Here we explore protic ionic liquids, using classical molecular dynamics. These compounds have shorter and stiffer alkyl chains, harder to fold....

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2016-01, Vol.18 (4), p.2297-232
Main Authors: Mariani, A, Caminiti, R, Campetella, M, Gontrani, L
Format: Article
Language:English
Subjects:
Chains
Disorders
Folding
Heterogeneity
Ionic liquids
Molecular dynamics
Molecular structure
Physical chemistry
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Summary:It has been recently shown that pressure may affect the mesoscopic heterogeneity in aprotic ionic liquids, owing to the long alkyl chain folding on itself. Here we explore protic ionic liquids, using classical molecular dynamics. These compounds have shorter and stiffer alkyl chains, harder to fold. We observed that high pressure affects the mesoscopic structure of the studied chemicals and, indeed, the effect may be ascribed to chain folding. The application of high pressure to protic ionic liquids with short alkyl chains induces a progressive homogenization of the structure.
ISSN:1463-9076
1463-9084
DOI:10.1039/c5cp06800b