Volume 159, 2012
From the journal:

Faraday Discussions

Exploring the influence of organic species on pre- and post-nucleation calcium carbonate†

Paolo Raiteri,a   Raffaella Demichelis,a   Julian D. Gale,*a   Matthias Kellermeier,b   Denis Gebauer,b   David Quigley,c   Louise B. Wrightd  and  Tiffany R. Walshe  

* Corresponding authors

a Nanochemistry Research Institute, Department of Chemistry, Curtin University, PO Box U1987, Perth, WA 6845, Australia
E-mail: J.Gale@curtin.edu.au
Fax: +61 9266 4699
Tel: +61 9266 7800

b Department of Physical Chemistry, University of Konstanz, Universitätsstrasse 10, Box 714, D-78457 Konstanz, Germany
E-mail: Denis.Gebauer@uni-konstanz.de
Fax: +49 7531 883898
Tel: +49 7531 882169

c Department of Physics, Centre for Scientific Computing, University of Warwick, Gibbet Hill Road, Coventry, UK
E-mail: d.quigley@warwick.ac.uk
Fax: +44 2476 573133
Tel: +44 24765 74580

d Department of Chemistry, Centre for Scientific Computing, University of Warwick, Gibbet Hill Road, Coventry, UK
E-mail: louise.wright@warwick.ac.uk
Fax: +44 2476 524112
Tel: +44 2476 523653

e Institute for Frontier Materials, Deakin University, Geelong, Vic, Australia
E-mail: tiffany.walsh@deakin.edu.au
Fax: +61 3522 71103
Tel: +61 3522 73116

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.

About
Cited by
Related
Download options Please wait...

Supplementary files

Article information

DOI
https://doi.org/10.1039/C2FD20052J
Article type
Paper
Submitted
16 Mar 2012
Accepted
01 Jun 2012
First published
04 Jun 2012

Faraday Discuss., 2012,159, 61-85

Permissions

Request permissions

Exploring the influence of organic species on pre- and post-nucleation calcium carbonate

P. Raiteri, R. Demichelis, J. D. Gale, M. Kellermeier, D. Gebauer, D. Quigley, L. B. Wright and T. R. Walsh, Faraday Discuss., 2012, 159, 61 DOI: 10.1039/C2FD20052J

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements