Molecular Simulation of Ion Transport at the Water/Vapor Interface


Molecular dynamics was used to quantify the role of the size, charge and polarisability of F, Cl, Br, I and Na ions in their distribution in the water/vapour interface system. Our results show that the larger polarizable anions I and Br is attracted to the surface which is traced back to surface-modified ion hydration, while the F was repelled from the… (More)


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