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

被引:43
作者
Mariani, A. [1 ]
Caminiti, R. [1 ]
Campetella, M. [1 ]
Gontrani, L. [1 ]
机构
[1] Univ Roma La Sapienza, Dept Chem, Ple Aldo Moro 5, I-00185 Rome, Italy
关键词
MOLECULAR-DYNAMICS; DIFFRACTION PATTERNS; NANOSTRUCTURE; TEMPERATURE; SEGREGATION; MIXTURES;
D O I
10.1039/c5cp06800b
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:2297 / 2302
页数:6
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