Journal
JOURNAL OF COLLOID AND INTERFACE SCIENCE
Volume 355, Issue 1, Pages 237-242Publisher
ACADEMIC PRESS INC ELSEVIER SCIENCE
DOI: 10.1016/j.jcis.2010.11.054
Keywords
Methane hydrate; Molecular dynamic simulation; Na-smectite; Nontronite; Layer charge; Confining effects
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Funding
- National Science Foundation of China [40973029, 40673041]
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Molecular dynamic simulations have been carried out to investigate the behavior of methane hydration in Na-smectite interlayers with different layer-charge distributions and water contents under certain pressure-temperature (P-T) conditions, which is analogous to the methane hydrate-bearing marine sediments. It was found that sufficient interlayer water is necessary for coordinating with methane and forming hydrate-like structures. Methane molecules are solvated by nearly 12-13 water molecules and coordinated with six oxygen atoms from the clay surface in the interlayer of nontronite as well as in montmorillonite. The mobility of the interlayer water of smectite, which is determined by the layer-charge amount and distribution of smectite, also influences the stability of hydrate methane complexes. The tetrahedral negative charge site is closer to the surface than the octahedral charge site and is more effective in confining water than methane water molecules. (C) 2010 Elsevier Inc. All rights reserved.
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