Molecular Dynamics Simulations of CO₂ Molecules in ZIF-11 Using Refined AMBER Force Field

Figure 9

The obtained (a) C1-CO₂, (b) C3-CO₂, (c) C4-CO₂, and (d) H1-CO₂ RDFs of SIM IV (—X–C, – –X–O) when X=C1, C3, C4, and H1, respectively.

(a)

(b)

(c)

(d)