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Molecular Dynamics Simulation Study of Hydrogen Hydrate Formation in the Presence of Electric Field

  • Shu Wu,
  • Gang Li,
  • Shuanshi Fan,
  • Xuemei Lang,
  • Yanhong Wang

摘要

The electric field plays a significant role in the induction of natural gas hydrate formation, leading to its rapid generation. This study investigates the formation of hydrogen gas hydrates under different electric field conditions using molecular dynamics simulations. The results demonstrate that the electric field intensity has a pronounced impact on hydrate formation. An electrostatic field inhibits the growth of hydrogen gas hydrates, while a cosine field promotes their formation. The effect becomes more evident with increasing electric field intensity, whereby a static field of 2.0V/nm generates a distinct icelike structure. Furthermore, the electric field selectively influences the quantity of different cage types. The electric field facilitates/suppresses hydrate formation by inducing the directed arrangement of water molecules, whereas the cosine field increases the chances of water molecules contacting and growing with hydrate clusters. These findings are of significant importance for understanding the mechanistic influence of the electric field on hydrate formation processes.