A Microkinetic Model of Calcite Step Growth
[1];
[1];
- Nano-Science Center Department of Chemistry University of Copenhagen Denmark
- Nano-Science Center Department of Chemistry University of Copenhagen Denmark, Physical Sciences Division Pacific Northwest National Laboratory Richland WA 99352 USA
- Physical Sciences Division Pacific Northwest National Laboratory Richland WA 99352 USA, Departments of Materials Science and Engineering and of Chemistry University of Washington Seattle WA 98195 USA
Abstract In spite of decades of research, mineral growth models based on ion attachment and detachment rates fail to predict behavior beyond a narrow range of conditions. Here we present a microkinetic model that accurately reproduces calcite growth over a very wide range of published experimental data for solution composition, saturation index, pH and impurities. We demonstrate that polynuclear complexes play a central role in mineral growth at high supersaturation and that a classical complexation model is sufficient to reproduce measured rates. Dehydration of the attaching species, not the mineral surface, is rate limiting. Density functional theory supports our conclusions. The model provides new insights into the molecular mechanisms of mineral growth that control biomineralization, mineral scaling and industrial material synthesis.
- Sponsoring Organization:
- USDOE
- Grant/Contract Number:
- AC05-76RL01830
- OSTI ID:
- 1401701
- Journal Information:
- Angewandte Chemie, Journal Name: Angewandte Chemie Journal Issue: 37 Vol. 128; ISSN 0044-8249
- Publisher:
- Wiley Blackwell (John Wiley & Sons)Copyright Statement
- Country of Publication:
- Germany
- Language:
- English
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