Simulation of Calcium Phosphate Pre-Nucleation Clusters in Aqueous Solution: Association Beyond Ion Pairing

Simulation of Calcium Phosphate Pre-Nucleation Clusters in Aqueous Solution: Association Beyond Ion Pairing

© 2019 American Chemical Society. Classical molecular dynamics simulations and free energy methods have been used to obtain a better understanding of the molecular processes occurring prior to the first nucleation event for calcium phosphate biominerals. The association constants for the formation o...

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Bibliographic Details
Main Authors: Garcia, Natalya, Innocenti Malini, R., Freeman, C., Demichelis, Raffaella, Raiteri, Paolo, Sommerdijk, N., Harding, J., Gale, Julian
Format: Journal Article
Language:English
Published: American Chemical Society 2019
Subjects:
Science & Technology
Physical Sciences
Technology
Chemistry, Multidisciplinary
Crystallography
Materials Science, Multidisciplinary
Chemistry
Materials Science
MOLECULAR-DYNAMICS SIMULATIONS
POSNERS CLUSTER
FORCE-FIELD
HYDROXYAPATITE
NUCLEATION
THERMODYNAMICS
GROWTH
MODEL
WATER
ACID
Online Access:http://purl.org/au-research/grants/arc/DP160100677
http://hdl.handle.net/20.500.11937/77068

Internet

http://purl.org/au-research/grants/arc/DP160100677
http://hdl.handle.net/20.500.11937/77068

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