カーボンナノチューブ内部の水の分子動力学 : 低次元空間内での水の輸送と相変化(分子スケール(1),一般講演)

概要

論文の詳細を見る
Transport and phase change phenomena of a water cluster inside a single-walled carbon nanotube (SWNT) have been studied by using molecular dynamics simulations. We have investigated the influence of the non-equilibrium thermal interface on the confined water cluster by imposing a longitudinal temperature gradient to the SWNT. It is demonstrated that the water cluster can be transported along the temperature gradient with the average acceleration proportional to the magnitude of the temperature gradient. On the other hand, the transport simulations with a junction between two different SWNTs suggest that an angstrom difference in the SWNT diameter may result in significant drag for water transported through a small diameter SWNT, due to a strong diameter dependence of the water cluster stability. Such stability characteristics also influence the phase change of the water inside an SWNT and result in an anomalous diameter dependence of the transition temperature to ice-nanotube.
日本流体力学会の論文
2008-09-04