Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite

Determining the Adsorption Free Energies of Small Organic Molecules and Intrinsic Ions at the Terrace and Steps of Calcite

The adsorption of small molecules containing two different organic functional groups at terrace and step sites on the {101¯ 4} surface of calcite at the interface with aqueous solution was studied using free energy methods. For comparison, the adsorption free energies of the component ions of calciu...

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Bibliographic Details
Main Authors: Aufort, Julie, Schuitemaker, Alicia, Green, R., Demichelis, Raffaella, Raiteri, Paolo, Gale, Julian
Format: Journal Article
Language:English
Published: AMER CHEMICAL SOC 2022
Subjects:
Science & Technology
Physical Sciences
Technology
Chemistry, Multidisciplinary
Crystallography
Materials Science, Multidisciplinary
Chemistry
Materials Science
GROWTH-KINETICS
ASPARTIC-ACID
DYNAMICS SIMULATIONS
CARBONATE
GLYCINE
SURFACE
CRYSTALLIZATION
MINERALIZATION
MODEL
CACO3
Online Access:http://purl.org/au-research/grants/arc/DP16100677
http://hdl.handle.net/20.500.11937/91503

Internet

http://purl.org/au-research/grants/arc/DP16100677
http://hdl.handle.net/20.500.11937/91503

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