Molecular dynamics simulations of the interaction of citric acid with the hydroxyapatite (0001) and (011ˉ0) surfaces in an aqueous environment
Abstract
Molecular dynamics simulations are employed to investigate the adsorption of 0) surfaces of hydroxyapatite. An aqueous environment is added through the explicit introduction of
0) surfaces respectively.
0) surface and hence would inhibit growth of this surface more effectively than growth of the (0001) plane with which it does not interact strongly in an aqueous environment where the water competes with the citric acid for
0] direction in the presence of
0) surface in the hydroxyapatite morphology.
- This article is part of the themed collection: CrystEngComm focuses on biomineralisation