Research Article

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

Table 1

Binding energies (kcal/mol) of PAA, PMAA, and PEI on the calcite surfaces.

SurfacePAAPMAAPEI

(104)−244.6 ± 87.6−399.3 ± 17.4−22.8 ± 7.9
(110)−471.0 ± 29.7−521.9 ± 100.1 33.8 ± 2.1