Computer Simulations of the Adsorption of Organic Molecules on Calcium Carbonate

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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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Bibliographic Details
Main Author:	Schuitemaker, Alicia
Format:	Thesis
Published:	Curtin University 2019
Online Access:	http://hdl.handle.net/20.500.11937/76365

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