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Published on: March 21, 2016
Global-density fluctuations in methane clathrate hydrates in externally applied electromagnetic fields
Conor J Waldron1, Niall J English1
1School of Chemical and Bioprocess Engineering, University College Dublin, Belfield, Dublin 4, Ireland.
Electromagnetic fields do not significantly alter methane clathrate hydrate structure below 1.2 V/nm. Simulations show applied fields only induce density fluctuations at specific frequencies, leaving the clathrate lattice intact.
Area of Science:
- Physical Chemistry
- Materials Science
- Computational Physics
Background:
- Methane clathrate hydrates are crystalline solids.
- Their properties are crucial for energy storage and transport.
- Understanding their response to external fields is important.
Purpose of the Study:
- To investigate the effect of electromagnetic (e/m) fields on bulk methane clathrate hydrates.
- To analyze system-mass-density fluctuations and their origins.
- To determine the threshold intensity of e/m fields for structural effects.
Main Methods:
- Non-equilibrium molecular-dynamics simulations were performed.
- Applied electromagnetic fields varied in frequency and strength.
- System-mass-density fluctuations and densities of states (DOSs) were analyzed.
Main Results:
- Three major density fluctuation modes were identified.
- A new mode, dependent on e/m fields, appears above 1.2 V/nm with a frequency twice that of the applied field.
- Densities of states were largely unaffected, showing only slight coupling to the applied field.
Conclusions:
- Methane clathrate hydrates exhibit distinct density fluctuation modes.
- Applied e/m fields below a threshold intensity do not cause structural distortion or dissociation.
- The hydrogen-bonding structure of clathrates remains intact under moderate e/m field exposure.
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