Counter-Ion Effects and Interfacial Properties of Aqueous Tetrabutylammonium Halide Solutions
Keyword(s):
Aqueous solvation of tetrabutylammonium fluoride and iodide was investigated by means of molecular dynamics simulations in extended slab geometry. The varying propensities of the individual ions for the air/water interface were quantified and analyzed in terms of hydrophobic, polarization, and ion–ion interactions. While the cations behave as standard ionic surfactants, the surface behaviour of the halide counter ions strongly depends on the ionic size and polarizability—iodide is surface active, while fluoride is repelled from the interface. The counter-ion effects at different concentrations on the density and charge profiles across the aqueous slab are discussed in detail.
2010 ◽
Vol 189
(7)
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pp. 1171-1186
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1998 ◽
Vol 148
(2)
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pp. 173-184
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2019 ◽
1985 ◽
Vol 280
(1)
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pp. C1-C5
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1959 ◽
Vol 197
(3)
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pp. 547-550
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2014 ◽
Vol 605-606
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pp. 147-151
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2010 ◽
Vol 114
(8)
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pp. 2901-2909
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