Data underlying the PhD thesis: Temperature-chemistry-microstructure correlations for alkali-activated binders

This collection of files contains raw and treated datasets utilized for the PhD thesis entitled 'Temperature-chemistry-microstructure correlations for alkali-activated binders'. The goal of this PhD project was to correlate intrinsic characteristics of precursors - chemical composition and glass structure, processing conditions - alkalinity of activator solution and curing temperature, and microstructural features of alkali-activated materials. The work initiated with the experimental characterization of precursors, made through X-ray diffraction and infrared and Raman spectroscopy, and proceeded with the study of kinetics of dissolution, assessed via inductively coupled plasma optical emission spectroscopy. The validity of the dissolution experiments was assessed via calculation of effective saturation indices of reaction products through thermodynamic models, performed with the GEMs software, assuring that the experiments were occurring within the forward dissolution regime of dissolution. In sequence, pastes of precursors made with different activators, prepared and cured in different conditions, were characterized at different ages. X-ray diffraction, differential thermogravimetric analysis, infrared spectroscopy and scanning electron microscopy were implemented to evaluate the evolution in reaction products and degree of reaction, correlating these features to the initial mix design and curing conditions. Finally, model pastes were modelled utilizing a combined kinetic-thermodynamic approach through the GeoMicro3D program. The simulations, based in principles of nucleation probability, reactive mass transport, and thermodynamic equilibrium, allowed the observations of digital microstructures at different ages, and the accuracy of the developed models was verified and positively validated against experimental scenarios implemented throughout the thesis. The 'readme.txt' file explains the contents of each individual file and how they were utilized for the manuscript.