Modeling the Mechanisms of Clay Damage by Molecular Dynamic Simulation

Figure 6

Density profiles and snapshots for no water content (0W) (a, d, g), 1W layer (b, e, h), and 2W layers (c, f, i) from MD simulations for Na- (a)–(c), K- (d)–(f), and Ca-montmorillonite (g)–(i). Color code: black: clay surface; red: water oxygen; blue: sodium; ochre: potassium; green: calcium.

(a)

(b)

(c)

(d)

(e)

(f)

(g)

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(i)