Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 117, Issue 4, Pages 1104-1109Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp310231f
Keywords
-
Categories
Funding
- National Natural Science Foundation of China [10974208, 11121403]
- Chinese Academy of Sciences (CAS)
- CAS-CNR
- MIUR [PRIN 20085M27SS, FIRB RBAP11C58Y]
- Fondazione CARIPARO
Ask authors/readers for more resources
Ionic liquids with intermediate nonpolar cationic side-chain lengths are known to have nanoscale spatial heterogeneities with nonpolar tail domains separated by a continuous polar network. In this work, we use coarse-grained molecular dynamics simulations to show that, when the nonpolar cationic side chain is sufficiently long, due to the stronger van der Waals interactions between the side chains, the structure of ionic liquids goes through a transition from spatially heterogeneous to liquid crystalline-like. For XMIm(+)/NO3- ionic liquids, change occurs when the number of carbon groups on the cationic side chain varies from 14 to 16. In the liquid crystal-like phase, the cationic side chains tend to be parallel to each other, while the cationic head groups and anions, although being mostly layered perpendicularly to the direction along the side chains, still form a continuous polar network.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available