Impact of the microstructure model on coupled simulation of drying and accelerated carbonation

During carbonation, the microstructure of a cement paste is strongly modified, which induces a dynamic feedback loop impacting the global advancement of the reaction. In this study, we investigate the effect of the microstructure model on simulations of accelerated carbonation of cement pastes. A va...

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Bibliographic Details
Published in:Cement and concrete research 2018-02, Vol.104, p.1-12
Main Authors: Georget, Fabien, Prévost, Jean H., Huet, Bruno
Format: Article
Language:English
Subjects:
CAPILLARIES
Capillary pressure
CARBON DIOXIDE
Carbonation
CARBONIZATION
Cement
Cement paste
CEMENTS
Chemical reactions
Computer simulation
Control theory
DIFFUSION
Diffusion rate
DRYING
Durability
Feedback loops
Formulations
MATERIALS SCIENCE
Mathematical models
MICROSTRUCTURE
Parameters
POROSITY
Reactive transport
Saturation
SERVICE LIFE
SIMULATION
Studies
TRANSPORT THEORY
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Summary:During carbonation, the microstructure of a cement paste is strongly modified, which induces a dynamic feedback loop impacting the global advancement of the reaction. In this study, we investigate the effect of the microstructure model on simulations of accelerated carbonation of cement pastes. A variable-porosity reactive transport model with a new microstructure model is used. To match the chemical layers created by the carbonation front, we use a layered microstructure model. We demonstrate that qualitative prediction for a large range of conditions and formulations can only be obtained if the macroscopic parameters of the carbonated layer can be modelled accurately. In particular, the saturation dependent parameters, such as the capillary pressure or the relative diffusion coefficients, control the rate of advancement of the reaction front since a high saturation inhibits the carbon dioxide diffusion.
ISSN:0008-8846
1873-3948
DOI:10.1016/j.cemconres.2017.11.008