X-Ray reflectometry studies on the effect of water on the surface structure of [C(4)mpyr][NTf2] ionic liquid

0341127 - ÚVGZ 2010 RIV GB eng J - Journal Article
Minofar, Babak … Total 6 authors
X-Ray reflectometry studies on the effect of water on the surface structure of [C(4)mpyr][NTf2] ionic liquid.
Physical Chemistry Chemical Physics. Roč. 11, č. 48 (2009), s. 11507-11514. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT(CZ) LC06010
Institutional research plan: CEZ:AV0Z60870520
Keywords : SUM-FREQUENCY GENERATION * MOLECULAR-DYNAMICS * AQUEOUS-SOLUTIONS
Subject RIV: CE - Biochemistry
Impact factor: 4.116, year: 2009

The effect of water on surface structure of 1-butyl-1-methylpyrrolidinium trifluoromethylsulfonylimide was investigated using X-ray reflectometry. The measured data suggests a significant amount of water is adsorbed at the surface, with the first layer from the gas-liquid phase mainly occupied by a mixture of cations and water. Beyond the cation+water layer, the scattering length density increases towards the bulk value, indicats a decreas amount of water and cations, and/or an increasing amount of anions. The orientation of the butyl chain of cation at the phase boundary and the population of water at the surface were described based on results from molecular dynamics simulation. We show that the presence of water in the ionic liquid has a non-monotonic effect on the thickness of the surface. At low water content, the addition of water does not change the surface thickness since water is mainly present in the bulk. As the water content increases the surface swells shrinks down.
Permanent Link: http://hdl.handle.net/11104/0184206