Data for "Quantification of nano-crystalline C-S-H in hydrated C3S, Portland cement and fly ash cement using PONKCS method"

This is the extracted profile for C-S-H (calcium silicate hydrates) from XRD data based on Rietveld analysis. The data was provided as *.xy file where x is the 2Theta from Cu Ka, and y is the extracted intensity.

The C-S-H profile utilized in the PONKCS analysis was extracted from the 90-day hydrated paste, containing abundant C-S-H and minimal unreacted C3S and other clinker phases. This minimized interference between the C3S and C-S-H peaks, resulting in a more precise profile model. The extraction of the C-S-H profile was done independently in different systems to mitigate the changes in the hump due to the C-S-H composition changes coursed by different mix designs. To avoid interference between the air scattering, all the PONKCS analysis including extraction of the C-S-H profile, were carried out using XRD pattern with 2Theta starting from 13.5° as proposed in the previous work [6], see Figure 1. Another Rietveld analysis with the full range of 2Theta from 7 – 70° was carried out to obtain the content for the crystalline phases as well as the total amorphous part. For modelling the C-S-H profile, 5 Split-pseudo Voigt (SPV) functions were used, as shown in Figure 1, adapted from the method reported in Refs [4, 6].