Thermodynamic Modelling of Harsh Environments on the Solid Phase Assemblage of Hydrating Cements Using PHREEQC

Abstract

Poor durability of reinforced concrete structures can lead to serious structural failures. An accurate model to observe the effects of aggressive agents like carbonation, sulfate ingress, and seawater solutions on the solid phase assemblage will help designers and specifiers better understand how cement behaves in these environments. This paper presents the first steps in developing such a model using the PHREEQC geochemical software by accounting for alkali binding and dissolution. It also presents the use of discrete solid phases (DSPs) to account for the solid-solution behaviour of siliceous hydrogarnet and magnesium silicate hydrate (M-S-H). A new thermodynamic description of the vaterite phase has also been developed for this work using the cemdata18 thermodynamic database. The predicted phase assemblages of cements in these environments here agree with previously published findings using a different thermodynamic model supported with experimental data.