Monolayers of acetone and methanol molecules on ice

The adsorption of methanol and acetone molecules on an ice Ih(0001) surface was studied using optimization of semi-empirical potentials at 0 K. First, we determined the stable adsorption site for single methanol or acetone molecules on the surface of ice. Then, we increased the coverage and show that the competition between adsorbate–ice and adsorbate–adsorbate interactions leads to the formation of stable well ordered layers of methanol and acetone molecules on the surface.