Journal
LANGMUIR
Volume 29, Issue 31, Pages 9744-9749Publisher
AMER CHEMICAL SOC
DOI: 10.1021/la401172z
Keywords
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Funding
- Fluid Interface Reactions, Structures, and Transport (FIRST) Center, an Energy Frontier Research Center
- Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy
- Oak Ridge National Laboratory FIRST
- Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]
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The dynamic and structural properties of a room. temperature ionic liquid (RTIL) 1-butyl-3-methyl-imidazolium-(trifluoromethanesulfonimide) ([C(4)mim][Tf2N]) confined in silica and carbon mesopores were investigated by molecular dynamics (MD) simulations and nuclear magnetic resonance (NMR) experiments. The complex interfacial microstructures of confined [C(4)mim] [Tf2N] are attributed to the distinctive surface features of the silica mesopore. The temperature-dependent diffusion coefficients of [C(4)mim][Tf2N] confined in the silica or carbon mesopore exhibit divergent behavior. The loading fraction (f = 1.0, 0.5, and 0.25) has a large effect on the magnitude of the diffusion coefficient in the silica pore and displays weaker temperature dependence as the loading fraction decreases. The diffusion coefficients of mesoporous carbon-confined [C(4)mim][Tf2N] are relatively insensitive to the loading faction and exhibit a temperature dependence that is similar to the bulk dependence at all loading levels. Such phenomena can be attributed to the unique surface heterogeneity, dissimilar interfacial microstructures, and interaction potential profile of RTILs near silica and carbon walls.
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