Paper Citing NAMD - Abstract
Suyetin, M. V.; Vakhrushev, A. V.
Nanocapsule for Safe and Effective Methane Storage
NANOSCALE RESEARCH LETTERS, 4:1267-1270, NOV 2009
A nanocapsule for safe and effective methane storage is investigated by the method of molecular dynamics. The mass content of methane in the nanocapsule reaches the value of 14.5 mass%. The nanocapsule consists of two parts: a locking chamber and a storage area. The locking chamber is the nanotube (10.10), open at one end, with a K@C-60(1+) endohedral complex inside it. The storage area is a nanotube (20.20). The locking chamber and the storage area are joined with each other and form T-junction. The locking chamber is opened at the methane filling and the discharge stages, and it is closed at the storage stage. Thanks to the locking chamber, methane molecules are stored in the nanocapsules under normal external conditions. Opening and closing of the locking chamber are carried out by the K@C-60(1+) endohedral complex displacement, which is done by the electric field action. The specific structure of the nanocapsule allows two aims to be reached: a high methane mass content and significant level of safety.
