特集：反応場としての気液界面
水表面におけるアルコール分子の動力学
2004 年 25 巻 3 号 p. 152-156
詳細
2004 年 25 巻 3 号 p. 152-156
Distribution of normal alcohol (n-alcohol) on water and its stability were investigated using molecular dynamics simulation for three types of n-alcohol (n-propanol, C3H7OH; n-heptanol, C7H15OH; and n-undecanol, C11H23OH) of five differrent concentrations. The simulation reveals that the distribution of n-propanol on water is homogeneous for all the concentrations examined here, but the distribution is heterogeneous for n-heptanol and n-undecanol on water. The n-alcohol concentration at which fluctuation in the distribution begins to increase is related to the length of the hydrocarbon chain of n-alcohol.
