Effect of Cations (Na+, K+, and Ca2+) on Methane Hydrate Formation on the External Surface of Montmorillonite: Insights from Molecular Dynamics Simulation
ACS EARTH AND SPACE CHEMISTRY, pp. 572-582, 2020.
In this study, molecular dynamics simulations were performed to investigate the effects of montmorillonite with different surface cations (i.e., Na+, K+, and Ca2+) on CH4 hydrate formation. The results showed that CH4 hydrate cages are mainly formed beyond the montmorillonite surface. The inner-sphere adsorption of K+ and the outer-sphere...More
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