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Propensity for the Air/Water Interface and Ion Pairing in Magnesium Acetate vs Magnesium Nitrate Solutions: Molecular Dynamics Simulations and Surface Tension Measurements

Minofar, Babak ; Vacha, Robert ; Wahab, Abdul ; Mahiuddin, Sekh ; Kunz, Werner ; Jungwirth, Pavel



Abstract

Mol. dynamics simulations in slab geometry and surface tension measurements were performed for aq. solns. of magnesium acetate and magnesium nitrate at various concns. The simulations reveal a strong affinity of acetate anions for the surface, while nitrate exhibits only a very weak surface propensity, and magnesium is per se strongly repelled from the air/water interface. CH3COO- also exhibits ...

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