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

Figure 6

The obtained (a) H3-CO₂, (b) H4-CO₂, (c) N-CO₂, and (d) Zn-CO₂ RDFs of SIM I (—X–C, –••–X–O) and SIM II (– –X–C, ••••X–O) when X=H3, H4, N, and Zn, respectively.

(a)

(b)

(c)

(d)