Exploring the influence of organic species on pre- and post-nucleation calcium carbonate
| dc.contributor.author | Raiteri, Paolo | deu |
| dc.contributor.author | Demichelis, Raffaella | deu |
| dc.contributor.author | Gale, Julian D. | deu |
| dc.contributor.author | Kellermeier, Matthias | |
| dc.contributor.author | Gebauer, Denis | |
| dc.contributor.author | Quigley, David | deu |
| dc.contributor.author | Wright, Louise B. | deu |
| dc.contributor.author | Walsh, Tiffany R. | deu |
| dc.date.accessioned | 2013-01-22T08:28:57Z | deu |
| dc.date.available | 2013-01-22T08:28:57Z | deu |
| dc.date.issued | 2012 | |
| dc.description.abstract | Organic additives are well known to influence the nucleation and growth of minerals. A combination of experimental and theoretical methods has been used to probe how three simple additives, containing varying numbers of carboxylate groups, influence the early stages of the growth of calcium carbonate. Computationally, the free energy landscape has been examined for each additive binding to Ca2+, the calcium carbonate ion pair, the surface of an amorphous calcium carbonate nanoparticle, and the basal plane of calcite. The different influence of the three organic ligands on the early stages of growth of calcium carbonate observed experimentally can be rationalised in terms of the degree of association of each anion with the species present prior to, and immediately after nucleation. | eng |
| dc.description.version | published | |
| dc.identifier.citation | Crystallisation - a biological perspective; University of Leeds, UK, 23-25 July 2012 / ed. Philip Earis. - Cambridge : RSC Publ. - S. 61-85. - (Faraday discussions ; 159 ). - ISBN 978-1-84973-450-9 | deu |
| dc.identifier.doi | 10.1039/C2FD20052J | deu |
| dc.identifier.uri | http://kops.uni-konstanz.de/handle/123456789/20950 | |
| dc.language.iso | eng | deu |
| dc.legacy.dateIssued | 2013-01-22 | deu |
| dc.rights | terms-of-use | deu |
| dc.rights.uri | https://rightsstatements.org/page/InC/1.0/ | deu |
| dc.subject.ddc | 540 | deu |
| dc.title | Exploring the influence of organic species on pre- and post-nucleation calcium carbonate | eng |
| dc.type | JOURNAL_ARTICLE | |
| dspace.entity.type | Publication | |
| kops.citation.bibtex | @article{Raiteri2012Explo-20950,
year={2012},
doi={10.1039/C2FD20052J},
title={Exploring the influence of organic species on pre- and post-nucleation calcium carbonate},
volume={159},
issn={1359-6640},
journal={Faraday Discussions},
pages={61--85},
author={Raiteri, Paolo and Demichelis, Raffaella and Gale, Julian D. and Kellermeier, Matthias and Gebauer, Denis and Quigley, David and Wright, Louise B. and Walsh, Tiffany R.}
} | |
| kops.citation.iso690 | RAITERI, Paolo, Raffaella DEMICHELIS, Julian D. GALE, Matthias KELLERMEIER, Denis GEBAUER, David QUIGLEY, Louise B. WRIGHT, Tiffany R. WALSH, 2012. Exploring the influence of organic species on pre- and post-nucleation calcium carbonate. Crystallisation - a biological perspective. University of Leeds, UK, 23. Juli 2012 - 25. Juli 2012. In: Faraday Discussions. 2012, 159, pp. 61-85. ISSN 1359-6640. Available under: doi: 10.1039/C2FD20052J | deu |
| kops.citation.iso690 | RAITERI, Paolo, Raffaella DEMICHELIS, Julian D. GALE, Matthias KELLERMEIER, Denis GEBAUER, David QUIGLEY, Louise B. WRIGHT, Tiffany R. WALSH, 2012. Exploring the influence of organic species on pre- and post-nucleation calcium carbonate. Crystallisation - a biological perspective. University of Leeds, UK, Jul 23, 2012 - Jul 25, 2012. In: Faraday Discussions. 2012, 159, pp. 61-85. ISSN 1359-6640. Available under: doi: 10.1039/C2FD20052J | eng |
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<dcterms:abstract xml:lang="eng">Organic additives are well known to influence the nucleation and growth of minerals. A combination of experimental and theoretical methods has been used to probe how three simple additives, containing varying numbers of carboxylate groups, influence the early stages of the growth of calcium carbonate. Computationally, the free energy landscape has been examined for each additive binding to Ca2+, the calcium carbonate ion pair, the surface of an amorphous calcium carbonate nanoparticle, and the basal plane of calcite. The different influence of the three organic ligands on the early stages of growth of calcium carbonate observed experimentally can be rationalised in terms of the degree of association of each anion with the species present prior to, and immediately after nucleation.</dcterms:abstract>
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| kops.sourcefield.plain | Faraday Discussions. 2012, 159, pp. 61-85. ISSN 1359-6640. Available under: doi: 10.1039/C2FD20052J | eng |
| kops.submitter.email | denis.gebauer@uni-konstanz.de | deu |
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