Cardiff University | Prifysgol Caerdydd ORCA
Online Research @ Cardiff 
WelshClear Cookie - decide language by browser settings

Towards a mesoscale model of geopolymers: Interaction potential from the molecular scale

Lolli, F. and Masoero, E. 2018. Towards a mesoscale model of geopolymers: Interaction potential from the molecular scale. Presented at: 2018 Conference on Computational Modelling of Concrete and Concrete Structures (EURO-C), Bad Hofgastein, Austria, 26 February - 01 March 2018. Published in: Meschke, Günther, Pichler, Bernhard and Rots, Jan G. eds. Computational Modelling of Concrete Structures. CRC Press, pp. 87-92. 10.1201/9781315182964-9

Full text not available from this repository.


Geopolymers are alumino-silicate hydrates obtained by reaction of an alumino-silicate source (e.g. metakaolin or fly ash) with alkali solution. Geopolymer-based binders are less environmentally impacting than ordinary cement, but their implementation in the construction field is still limited and requires a better understanding of the nanoscale origin of their mechanical properties. This understanding can be advanced with new simulations based on interaction-driven aggregation of nanoparticles, similar to what has happened in the last decade in the field of traditional cement science. This paper introduces a pathway to develop such a model starting from recent molecular models of geopolymers, which allow to compute the interaction potentials needed for the larger mesoscale. Interaction potential parameters are presented in this work as a function of different particle sizes, targeting experimentally-observed ranges of particle sizes and porosity. Overall, this work opens new opportunities to understand the linkage between mesostructure and engineering properties of geopolymers, with the aim of supporting their commercialisation as alternative cements and, in this way, contributing to the development of a greener economy.

Item Type: Conference or Workshop Item (Paper)
Date Type: Published Online
Status: Published
Schools: Engineering
Publisher: CRC Press
ISBN: 9781315182964
Last Modified: 28 Oct 2021 16:15

Actions (repository staff only)

Edit Item Edit Item