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The processes of methane adsorption, storage and desorption by the nanocapsule are investigated with molecular-dynamic modeling method. The specific nanocapsule shape defines its functioning uniqueness: methane is adsorbed under 40 MPa and at normal temperature with further blocking of methane molecules the K@C601+ endohedral complex in the nanocapsule by external electric field, the storage is performed under normal external conditions, and methane desorption is performed at 350 K. The methane content in the nanocapsule during storage reaches 11.09 mass%. The nanocapsule consists of tree parts: storage chamber, junction and blocking chamber. The storage chamber comprises the nanotube (20,20). The blocking chamber is a short nanotube (20,20) with three holes. The junction consists of the nanotube (10,10) and nanotube (8,8); moreover, the nanotube (8,8) is connected with the storage chamber and nanotube (10,10) with the blocking chamber. The blocking chamber is opened and closed by the transfer of the K@C60 1+ endohedral complex under electrostatic field action. [ABSTRACT FROM AUTHOR]

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@C60 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@C60 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. [ABSTRACT FROM AUTHOR]

Abstract The processes of methane adsorption, storage and desorption by the nanocapsule are investigated with molecular-dynamic modeling method. The specific nanocapsule shape defines its functioning uniqueness: methane is adsorbed under 40 MPa and at normal temperature with further blocking of methane molecules the K@C601+ endohedral complex in the nanocapsule by external electric field, the storage is performed under normal external conditions, and methane desorption is performed at 350 K. The methane content in the nanocapsule during storage reaches 11.09 mass%. The nanocapsule consists of tree parts: storage chamber, junction and blocking chamber. The storage chamber comprises the nanotube (20,20). The blocking chamber is a short nanotube (20,20) with three holes. The junction consists of the nanotube (10,10) and nanotube (8,8); moreover, the nanotube (8,8) is connected with the storage chamber and nanotube (10,10) with the blocking chamber. The blocking chamber is opened and closed by the transfer of the K@C60 1+ endohedral complex under electrostatic field action.