Hostname: page-component-586b7cd67f-dlnhk Total loading time: 0 Render date: 2024-11-29T06:56:14.641Z Has data issue: false hasContentIssue false
  • English
  • Français

Control of inorganic morphologies by organic templates

Published online by Cambridge University Press:  11 February 2011

John H. Harding  and
Dorothy M. Duffy
John H. Harding
Affiliation:
Department of Physics & Astronomy, University College London, Gower St, London WC1E 6BT, U.K.
Dorothy M. Duffy
Affiliation:
Department of Physics & Astronomy, University College London, Gower St, London WC1E 6BT, U.K.
Get access

Abstract

Experiments have shown that ordered monolayers of large organic molecules can control crystal nucleation and growth. The work of nucleation controls which morphology and phase will appear. We have used molecular dynamics to simulate the interfaces between stearic acid and a number of calcium carbonate surfaces. An important issue is the ionisation state of the acid which depends on the pH of the solution at the surface. We estimate this by solving the nonlinear Grahame equation for a calcium carbonate solution. The species in solution are chosen from geochemical models. The calculated interfacial binding energy between monolayer and material is often of the order of 1 Jm-2, suggesting that the nucleation rate is strongly enhanced.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 735: Symposium C – Bioinspired Nanoscale Hybrid Systems , 2002 , C11.5
Copyright
Copyright © Materials Research Society 2003

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Mann, S., Biomineralization, Principles and Concepts in Bioinorganic Materials Chemistry, (Oxford, 2001).Google Scholar
2. Heywood, B. R., Rajam, S. and Mann, S., J. Chem. Soc. (Faraday Trans) 87, 727, 735 (1991).Google Scholar
3. Heywood, B. R., Chapter 6 in Biomimetic Materials Chemistry, edited Mann, S., (VCH Publishers 1996)Google Scholar
4. Küther, J. and Tremel, W., Chem. Commun. 21, 2029 (1997)Google Scholar
5. Küther, J., Seshadri, R., Nelles, G., Assenmacher, W., Butt, H. J., Mader, W. and Tremel, W., Chem. Mater. 11 1317 (1999).Google Scholar
6. Ueyama, N., Hosoi, T., Yamada, Y., Doi, M., Okamura, T. and Nakamura, A., Macromolecules, 31 7119 (1998).Google Scholar
7. Mutaftschiev, B., Chapter 9 in The atomistic nature of crystal growth (Springer 2001).Google Scholar
8. Bloch, J. M. and Yun, W., Phys. Rev. A 41 844 (1990).Google Scholar
9. Lockhead, M. J., Letellier, S. R. and Vogel, V., J. Phys. Chem. B 101 10821 (1997).Google Scholar
10. Harding, J. H. and Duffy, D. M., paper in preparation.Google Scholar
11. Lovell, M. R. and Roser, S. J., J. Phys. Chem. 99 14058 (1995).Google Scholar
12. Le Calvez, E., Blaudez, D., Buffeteau, T. and Desbat, B., Langmuir 17 670 (2001).Google Scholar
13. Martell, A. E. and Smith, R. M., Critical Stability Constants Volume 3 (Plenum 1977).Google Scholar
14. Langmuir, D., Aqueous Environmental Chemistry (Prentice-Hall 1997).Google Scholar
15. Loste, E., Morphological control of calcium carbonate, (PhD thesis, Univ. of London 2002).Google Scholar
16. Smith, W. and Forester, T. R., J. Molec. Graph. 14 136 (1996).Google Scholar
17. Duffy, D. M. and Harding, J. H., J. Mater. Chem. in press; an advance copy of the article is available on the journal website. (2002).Google Scholar