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Investigating structural features which control the dissolution of bioactive phosphate glasses: beyond the network connectivity

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posted on 20.05.2015, 14:19 by Jamieson ChristieJamieson Christie, Richard I. Ainsworth, Nora H. de Leeuw
We have used classical molecular dynamics simulations to characterise the structure of three compositions of silver-containing phosphate glasses with 45 mol% P2O5, 30 mol% CaO, and varying amounts of Na2O and Ag2O. These compositions all have the same network connectivity, allowing us to highlight two other structural features which will affect the glass dissolution. Firstly, the number of different phosphate chains bonded to each modifier atom was computed and it was observed that silver and sodium bind to roughly the same number of phosphate chains, despite the differences in their local environments. Secondly, the clustering of modifier cations was characterised and shown to be enhanced at low concentrations of sodium and silver, but not to exist for calcium.

Funding

We acknowledge the EPSRC (grant no. EP/J008095/1) for funding. Via our membership of the UK's HPC Materials Chemistry Consortium, which is funded by EPSRC (grant nos. EP/F067496 and EP/L000202).

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Materials

Published in

1st Joint Meeting of DGG – ACerS GOMD

Citation

CHRISTIE, J.K., AINSWORTH, R.I. and DE LEEUW, N.H., 2016. Investigating structural features which control the dissolution of bioactive phosphate glasses: beyond the network connectivity. Journal of Non-Crystalline Solids, 432(pt.A), pp.31-34.

Publisher

© The Authors. Published by Elsevier B.V.

Version

VoR (Version of Record)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution 4.0 International (CC BY 4.0) licence. Full details of this licence are available at: http://creativecommons.org/licenses/ by/4.0/

Publication date

2016

Notes

This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/). The paper was presented at the 1st Joint Meeting of DGG – ACerS GOMD, Aachen, Germany and published in the Journal of Non-Crystalline Solids.

ISSN

0022-3093

Language

en

Location

Aachen, Germany