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Issue 32, 2008
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Hydronium and hydroxide at the interface between water and hydrophobic media

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Abstract

The behavior of hydronium and hydroxide ions at the water/alkane, water/vapor, and water/rigid wall interfaces was investigated by means of molecular dynamics simulations. All these interfaces exhibit a strong affinity for hydronium, which is in agreement with spectroscopic and low pH zeta-potential measurements. Except for the water/rigid wall interface, which strongly structures water and weakly attracts OH, none of the other investigated interfaces shows an appreciable accumulation of hydroxide. This computational result is at odds with the interpretation of higher pH zeta-potential and titration experiments, however, it is supported by surface selective spectroscopies of the surface of water and hydroxide solutions.

Graphical abstract: Hydronium and hydroxide at the interface between water and hydrophobic media

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Publication details

The article was received on 15 Apr 2008, accepted on 10 Jun 2008 and first published on 09 Jul 2008


Article type: Paper
DOI: 10.1039/B806432F
Citation: Phys. Chem. Chem. Phys., 2008,10, 4975-4980
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    Hydronium and hydroxide at the interface between water and hydrophobic media

    R. Vácha, D. Horinek, M. L. Berkowitz and P. Jungwirth, Phys. Chem. Chem. Phys., 2008, 10, 4975
    DOI: 10.1039/B806432F

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