Simulating the binding of key organic functional groups to aqueous calcium carbonate species

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Simulating the binding of key organic functional groups to aqueous calcium carbonate species

The interaction of organic molecules with mineral systems is relevant to a wide variety of scientific problems both in the environment and minerals processing. In this study, the coordination of small organics that contain the two most relevant functional groups for biomineralisation of calcium carb...

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Bibliographic Details
Main Authors:	Schuitemaker, Alicia, Aufort, Julie, Koziara, K.B., Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian
Format:	Journal Article
Language:	English
Published:	ROYAL SOC CHEMISTRY 2021
Subjects:	Science & Technology Physical Sciences Chemistry, Physical Physics, Atomic, Molecular & Chemical Chemistry Physics SOLVATION FREE-ENERGIES FORCE-FIELD AMINO-ACIDS AB-INITIO THERMODYNAMIC PROPERTIES HYDRATION MODEL BIOMINERALIZATION DYNAMICS CRYSTALLIZATION
Online Access:	http://purl.org/au-research/grants/arc/DP160100677 http://hdl.handle.net/20.500.11937/91490

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