Mondal, S. ; Ghosh, S. ; Chattaraj, P. K. (2013) A molecular dynamics study on sI hydrogen hydrate Journal of Molecular Modeling, 19 (7). pp. 2785-2790. ISSN 1610-2940
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Official URL: http://doi.org/10.1007/s00894-012-1625-7
Related URL: http://dx.doi.org/10.1007/s00894-012-1625-7
Abstract
A molecular dynamics simulation is carried out to explore the possibility of using sI clathrate hydrate as hydrogen storage material. Metastable hydrogen hydrate structures are generated using the LAMMPS software. Different binding energies and radial distribution functions provide important insights into the behavior of the various types of hydrogen and oxygen atoms present in the system. Clathrate hydrate cages become more stable in the presence of guest molecules like hydrogen.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Springer Nature Switzerland AG |
| Keywords: | Binding energy;Hydrogen;MD simulation;Radial distribution function;Structure I (sI) clathrate |
| ID Code: | 133794 |
| Deposited On: | 30 Dec 2022 08:46 |
| Last Modified: | 30 Dec 2022 08:46 |
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