使用分子动力学研究了乙醇与水分子在纳米金管内按照不同比例混合时的吸附现象,并利用径向密度分布函数及水和乙醇分子所形成的平均氢键数来探讨纳米限制效应.结果表明,径向密度分布函数和氢键数目受纳米金管影响较大.另外,水与金管之间的作用力比乙醇与金管之间的大,导致水分子形成的平均氢键数不同于乙醇分子的. The molecular dynamics simulation was used to study the adsorption phenomena of ethanol and water molecules mixed in different ratios in the gold tube. The radial density distribution function and the average number of hydrogen bonds formed by water molecules and ethanol molecules were used to investigate the effect of nano-confinement. , The radial density distribution function and the number of hydrogen bonds are greatly affected by the nano-gold tube.In addition, the interaction between water and the gold tube is larger than that between the ethanol and the gold tube, resulting in that the average number of hydrogen bonds formed by the water molecules is different from that of the ethanol molecules .