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

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

Internet

http://purl.org/au-research/grants/arc/DP160100677
http://hdl.handle.net/20.500.11937/91490

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