Topological model of the dissolution kinetics of silicate glasses

Mengyi Wang, Isabella Pignatelli, Tandre Oey, Morten Smedskjaer, John Mauro, Gaurav Sant, Mathieu Bauchy

Research output: Contribution to conferenceConference AbstractScientificpeer-review

Abstract

Understanding and predicting the dissolution rate of silicate glasses is of primary importance for various applications, including bioactive glasses and borosilicate wasteforms. However, the mechanism of silicates’ dissolution – and its rate-limiting step – remains poorly understood. In particular, present models linking the composition and structure of silicate glasses to their dissolution rate in a given solvent have remained largely empirical thus far. Here, based on vertical scanning interferometry (VSI), we study the dissolution of a family of borosilicate glasses under several values of pH. In addition, we parametrized a new transferable inter-atomic potential to assess the structure of these glasses from molecular dynamics (MD) simulations. From a detailed analysis of the simulated structures, we demonstrate that the kinetics of the dissolution is controlled by the topology of the atomic network. Finally, we propose a new topological model of the dissolution, which is shown to offer realistic predictions of the activation energy of dissolution for a wide selection range of silicate glasses and crystals.
Original languageEnglish
Publication statusPublished - 23 May 2017
MoE publication typeNot Eligible

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    Wang, M., Pignatelli, I., Oey, T., Smedskjaer, M., Mauro, J., Sant, G., & Bauchy, M. (2017). Topological model of the dissolution kinetics of silicate glasses.