This study addresses numerical investigation of dielectric properties of acetonitrile confined in Single Walled Carbon Nano Tubes (SWCNTs). Frequency dependent permittivity have been computed by assuming whether interactions among the Acetonitrile (ACN) molecules exist or not. Both axial and radial dielectric permittivity show tube diameter dependence. Static dielectric permittivity becomes larger with the diameter of the tubes but still smaller than that of the bulk state as well. Furthermore, an anomalous decrease in radial component of dielectric permittivity was observed. Bending modes and stretching modes between the Carbon atoms affect the variation of dielectric permittivities as well. Moreover, Kirkwood correlation factor, g factor, firmly influenced by the size of the tube and Knudsen region where immediate interactions of ACN molecules start to develop in the this region for narrower tubes too. Both relaxation and reorientation of Acetonitrile inside the CNTs are slower than those of the bulk state.

这项研究致力于限制在单壁碳纳米管（SWCNTs）中的乙腈的介电性能的数值研究。通过假设乙腈（ACN）分子之间是否存在相互作用来计算频率相关的介电常数。轴向和径向介电常数都显示出管直径的依赖性。静态介电常数随管的直径而变大，但仍小于体态的介电常数。此外，观察到介电常数的径向分量异常降低。碳原子之间的弯曲模式和拉伸模式也会影响介电常数的变化。此外，柯克伍德相关因子，g因子，试管和Knudsen区域的尺寸受到严格影响，对于较窄的试管，ACN分子的即时相互作用也开始在该区域发展。碳纳米管中乙腈的松弛和重新取向都比本体状态的慢。