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Title: A Microkinetic Model of Calcite Step Growth

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2];  [1];  [3];  [1]
  1. Nano-Science Center, Department of Chemistry, University of Copenhagen, Denmark
  2. Nano-Science Center, Department of Chemistry, University of Copenhagen, Denmark, Physical Sciences Division, Pacific Northwest National Laboratory, Richland WA 99352 USA
  3. 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
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1401701
Grant/Contract Number:
AC05-76RL01830
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Angewandte Chemie
Additional Journal Information:
Journal Volume: 128; Journal Issue: 37; Related Information: CHORUS Timestamp: 2017-10-20 17:54:28; Journal ID: ISSN 0044-8249
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
Germany
Language:
English

Citation Formats

Andersson, M. P., Dobberschütz, S., Sand, K. K., Tobler, D. J., De Yoreo, J. J., and Stipp, S. L. S. A Microkinetic Model of Calcite Step Growth. Germany: N. p., 2016. Web. doi:10.1002/ange.201604357.
Andersson, M. P., Dobberschütz, S., Sand, K. K., Tobler, D. J., De Yoreo, J. J., & Stipp, S. L. S. A Microkinetic Model of Calcite Step Growth. Germany. doi:10.1002/ange.201604357.
Andersson, M. P., Dobberschütz, S., Sand, K. K., Tobler, D. J., De Yoreo, J. J., and Stipp, S. L. S. 2016. "A Microkinetic Model of Calcite Step Growth". Germany. doi:10.1002/ange.201604357.
@article{osti_1401701,
title = {A Microkinetic Model of Calcite Step Growth},
author = {Andersson, M. P. and Dobberschütz, S. and Sand, K. K. and Tobler, D. J. and De Yoreo, J. J. and Stipp, S. L. S.},
abstractNote = {},
doi = {10.1002/ange.201604357},
journal = {Angewandte Chemie},
number = 37,
volume = 128,
place = {Germany},
year = 2016,
month = 8
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1002/ange.201604357

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  • Cited by 3
  • The authors present novel in situ observations of the dynamics of monomolecular growth steps on calcite. Steps do not interact at separations of [approximately]10 nm and above, indicating that surface diffusion does not control calcite growth. Instead, steps advance by material addition from solution onto step sites or a narrow adjacent zone. Step nucleation is primarily at growth spirals, and no spontaneous surface nucleation is observed; growth rate is controlled by spiral rotation rate. Thus, classical growth models based on rapid surface diffusion are inapplicable to calcite and possible to many other minerals. 23 refs., 4 figs., 2 tabs.
  • Determining a complete atomic-level picture of how minerals grow from aqueous solution remains a challenge as macroscopic rates can be a convolution of many reactions. For the case of calcite (CaCO 3) in water, computer simulations have been used in this paper to map the complex thermodynamic landscape leading to growth of the two distinct steps, acute and obtuse, on the basal surface. The carbonate ion is found to preferentially adsorb at the upper edge of acute steps while Ca 2+ only adsorbs after CO 3 2-. In contrast to the conventional picture, ion pairs prefer to bind at themore » upper edge of the step with only one ion, at most, coordinated to the step and lower terrace. Finally, migration of the first carbonate ion to a growth site is found to be rate-limiting for kink nucleation, with this process having a lower activation energy on the obtuse step.« less