Structure modeling and quantitative X-ray diffraction of C-(A)-S-H.

ABSTRACT: Quantitative X-ray diffraction of nanocrystalline calcium silicate hydrate (C-S-H) and its aluminium-substituted variants (C-A-S-H) has so far been limited by a lack of appropriate structure models. In this study, atomistic structure models derived from tobermorite were combined with a supercell approach using TOPAS. By accounting for nanostructural features such as isolated layers, turbostratic disorder and, for the first time, fibrils, characteristic reflections and asymmetric bands were more accurately simulated than before, providing the means for phase quantification and refinement of structural sites. This improved methodology is applied to autoclaved aerated concrete and the experimental study of related hydrothermal reactions. Scanning electron microscopy indicated a fibrill

SUBMITTER: Mesecke K 

PROVIDER: S-EPMC8805164 | biostudies-literature | 2022 Feb

REPOSITORIES: biostudies-literature