Effect of Cations (Na+, K+, and Ca2+) on Methane Hydrate Formation on the External Surface of Montmorillonite: Insights from Molecular Dynamics Simulation

Yun Li
Yun Li
Meng Chen
Meng Chen
Hongzhe Song
Hongzhe Song
Baifa Zhang
Baifa Zhang
Huijun Zhou
Huijun Zhou
Hongling Bu
Hongling Bu

ACS EARTH AND SPACE CHEMISTRY, pp. 572-582, 2020.

Abstract:

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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