Methane storage in bottle-like nanocapsules

Abstract

Because the traditional storage of methane in the condensed state in high-pressure vessels is rather dangerous, and to store a large amount of gas using adsorbents is impossible at normal ambient conditions, we have developed a nanocapsule, which combines the advantages of a high-pressure vessel and adsorbents--a large methane mass content and safe-keeping. A nanocapsule is a system of combined nanotubes forming bottle-like pores, the entrance to which is closed by a positively charged endohedral complex (K@C60) with the help of an electric field. In normal ambient conditions, the nanocapsule can retain the amount of methane adsorbed under charging conditions. The processes taking place during the storage of methane and the methane desorption from the nanocapsule are analysed and the value of the electric field intensity necessary for the transfer of the K@C60 in the nanocapsule is determined. The nanocapsule discussed can retain approximately 17.5 mass% of methane at an internal pressure of 10 MPa and a temperature of 300 K.

Self‐Assembled Water Molecules as a Functional Valve for a High‐Pressure Nanocontainer

“…[15] Several attempts have been made to design a nanovalve for the storage of gases inside carbon nanotubes, including the "ball check" valve controlled by pressure, [16,17] and the endohedral complex K + @C 60 controlled by electric field. [18,19] However, turning such elaborate models into actual structures at the molecular level would be quite challenging. Herein, we present a new design based on readily made structures and the self-assembly of H 2 O around hydrophillic groups.…”

General formulae for interacting spherical nanoparticles and fullerenes

“…Such a modelling approach is an important idealization which might dramatically improve computational time. Some molecular dynamics simulations for methane storage [25][26][27][28] consider many methane molecules and metallofullerenes interacting with carbon nanotubes and these interactions have been successfully modelled by the present authors [29] using the aproach adopted in Ref. [19].…”

Self‐Assembled Water Molecules as a Functional Valve for a High‐Pressure Nanocontainer

“…Several attempts have been made to design a nanovalve for the storage of gases inside carbon nanotubes, including the “ball check” valve controlled by pressure,16, 17 and the endohedral complex K + @C 60 controlled by electric field 18. 19 However, turning such elaborate models into actual structures at the molecular level would be quite challenging. Herein, we present a new design based on readily made structures and the self‐assembly of H 2 O around hydrophillic groups.…”