Title:
Advances in the Thermodynamic Modelling of Novel Magnesia-Based Cementitious Binders
Author(s):
Juan Pablo Gevaudan
Publication:
Web Session
Volume:
Issue:
Appears on pages(s):
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DOI:
Date:
10/29/2023
Abstract:
The critical need to decarbonize infrastructure has motivated recent developments in carbon-neutral cementitious materials derived from magnesium silicate sources. However, while the formulation of these magnesium-based cements is actively studied, thermodynamic simulations can provide an initial understanding on their long-term durability – critical to optimize material formulations and ensure their satisfactory in-service performance. In this presentation, we will present recent modelling advances in (M,N)-A-(S,P)-H cementitious binders benchmarked by x-ray diffraction and nuclear magnetic resonance characterization of the amorphous cementitious binder. More specifically, the estimation of thermodynamic properties, namely enthalpic contributions to Gibbs energy, using a Metropolis Monte Carlo simulations will be explained. Results from these initial thermodynamic properties of cementitious binders can be used in thermodynamic simulations with a Gibbs Energy Minimization (GEM) tool to predict the long-time stability of these cementitious materials. This work is important to advance sustainability goals that leverage alternative concrete materials as a materials solution to lower the embodied carbon of traditional concrete materials.