
Open access
Date
2018-01-03Type
- Journal Article
Citations
Cited 68 times in
Web of Science
Cited 67 times in
Scopus
ETH Bibliography
yes
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Abstract
Mechanisms of CaCO3 nucleation from solutions that depend on multistage pathways and the existence of species far more complex than simple ions or ion pairs have recently been proposed. Herein, we provide a tightly coupled theoretical and experimental study on the pathways that precede the initial stages of CaCO3 nucleation. Starting from molecular simulations, we succeed in correctly predicting bulk thermodynamic quantities and experimental data, including equilibrium constants, titration curves, and detailed x-ray absorption spectra taken from the supersaturated CaCO3 solutions. The picture that emerges is in complete agreement with classical views of cluster populations in which ions and ion pairs dominate, with the concomitant free energy landscapes following classical nucleation theory. Show more
Permanent link
https://doi.org/10.3929/ethz-b-000245173Publication status
publishedExternal links
Journal / series
Science AdvancesVolume
Pages / Article No.
Publisher
AAASMore
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Citations
Cited 68 times in
Web of Science
Cited 67 times in
Scopus
ETH Bibliography
yes
Altmetrics