Computer Simulations of the Adsorption of Organic Molecules on Calcium Carbonate
This study has employed computational techniques to explore the mechanisms of binding between small molecules and calcite. Force field methods were applied to compute the adsorption free energies of small organic molecules containing different functional groups with various calcite surface features,...
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| Format: | Thesis |
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Curtin University
2019
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| Online Access: | http://hdl.handle.net/20.500.11937/76365 |