Overview of Molecular Dynamics Simulation of Natural Gas Hydrate at Nanoscale

Figure 8

Two types of cage openings for the passage of CO₂ and CH₄. Type I: broken hydrogen bond at the junction of a hexagon and a pentagon during the passage of CO₂ (a) and CH₄ (c). Type II: broken hydrogen bond at the junction of two pentagons during the passage of CO₂ (b) and CH₄ (d). In the above description, type I hydrate openings are represented by purple regions and type II hydrate openings are represented by pink regions [96].

(a)

(b)

(c)

(d)