Description
The question of mineralisation is pertinent in many fields. In particular, the nucleation of calcium phosphates is significant to studies of biomineralization and orthopaedics to, recently, the development of protective coatings for marble cultural heritage objects. In the latter instance, it has been shown that small amounts of organic solvent (ethanol, isopropanol, or acetone) aid in creating a dense mineral layer which improves the efficacy of conservation treatments grown in situ. While the effect of these organic solvents is plentiful, their impact on a molecular level is not yet fully understood. To investigate this, we are using computational chemistry – in particular density functional theory and classical molecular dynamics – to better understand the role of organic solvents on precursory mineralisation behaviour such as ion solvation, ion pairing, and interactions with the marble (calcite) surface. In doing so, this work aims to understand the optimal conditions for the synthesis of the calcium phosphate protective layer and thus aid in developing more effective conservation strategies for marble cultural heritage objects.
| I am the presenting author | Yes |
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