Abstract
In this work, the influence of different cations (Na+, K+, Ca2+ and Mg2+) on the surface tension of electrolyte solution was investigated using molecular dynamics simulations (MDs). The structure of the water-ion system was discussed in terms of ion-oxygen, ion-hydrogen radial distribution function (RDF) and hydration numbers of different electrolyte ions. It was found that the water-ion system existed in the form of ionic hydration shells. Besides, the interactions between the ions and water molecules were illustrated by the hydration energy, which provided the extra driving force to enlarge the surface tension of the ionic solution compare to the water. These results commendably explained the phenomenon that the greater the hydration energy of the ions, the greater the surface tension of these ionic solution.
Published Version
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