Molecular dynamics simulations of small HCl/nH2O clusters using the AM1/MNDO potential were carried out to determine the smallest clusters for which ionization of HCl occurred. A value of n of 6 was found which suggests that HCl is ionically soluble on the surface of ice, where there is sufficient fluidity of the water molecules for dissociation to occur. © 1995.
|Number of pages||3|
|Journal||Chemical Physics Letters|
|Publication status||Published - 29 Dec 1995|