抄録
Molecular dynamics simulation was adopted for 1-propanol and 2-propanol with a hydroxylated silicon dioxide (SiO_2) surface. Large clusters of 1-or 2-propanol, which were induced by the hydroxylated surface, were observed. These results are similar to that for ethanol in the previous our simulations. The mean size of the cluster is independent of the molecular structure. However, the anisotropic shape along the axis normal to the surface for 2-propanol was larger than that for 1-propanol. The results for 1-propanol is similar to that for ethanol.
