抄録
The distribution and mass transfer of alcohols in water-hydrocarbon interface were studied. Molecular dynamics method was used for this study. We used octane as hydrocarbon and heptanol as alcohol. The position, speed, and potential energy of molecules can be found from this simulation, and various kinds of physical-properties are calculated from these. In low heptanol concentration, heptanol makes a monomolecular layer to water and octane interface. In high heptanol concentration, heptanol that cannot finish going into a monomolecular layer forms clusters in octane layer. Absorption rate of heptanol to water-hydrocarbon interface has peak in modicum heptanol concentration when octane concentration is low. But this peak is diminished when octane concentration is high.
