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In Situ Methane Recovery and Carbon Dioxide Sequestration in Methane Hydrates: A Molecular Dynamics Simulation Study

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Department of Chemical Engineering, National Taiwan University, Taipei 10617, Taiwan
E-mail: [email protected]
Cite this: J. Phys. Chem. B 2011, 115, 51, 15295–15302
Publication Date (Web):November 17, 2011
https://doi.org/10.1021/jp2088675
Copyright © 2011 American Chemical Society
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    Abstract

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    One intriguing idea for the simultaneous recovery of energy and sequestration of global warming gas is proposed by the transformation of methane hydrates to carbon dioxide hydrates with the injection of liquid CO2. Here we use molecular dynamics simulations to show that the replacement can take place without melting of the network of hydrogen-bonded water molecules. Depending on the distance to the interface between the liquid CO2 and solid clathrate hydrate, we find that the replacement occurs either via direct swapping of methane and CO2 or via a transient co-occupation of both methane and CO2 in one cavity. Our results suggest that, with a careful design of the operation condition, it is possible to replace methane from methane hydrates with CO2 in the solid phase without much change in the geological stability.

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