Molecular Dynamics Simulation to Understand the Ability of Anionic Polymers to Alter the Morphology of Calcite

Figure 3

Representative binding conformations of polymer molecules on calcite: (a) PAA on (104); (b) PMAA on (104); (c) PEI on (104); (d) PAA on (110); (e) PMAA on (110); (f) PEI on (110). Calcium, oxygen, nitrogen, carbon, and hydrogen atoms are portrayed in green, red, blue, grey, and white, respectively. Water molecules are not shown for clarity.

(a)

(b)

(c)

(d)

(e)

(f)