Desarrollo de un modelo de la distribución de densidad de dispersión a partir de difractogramas para obtener parámetros estructurales de materiales mesoporosos ordenados.

Abstract

Ordered mesoporous materials (MMOs) have aroused great interest due to their potentially useful properties, which is why their study is of great importance. Considering that X-ray diffraction is one of the most well-known characterization methods, the present work seeks to develop a scattering density model that allows the analysis of mesoporous structures only with data obtained from diffractograms. Given the close relationship between dispersion density and structure factor, most of the focus of this work will be directed to the search for an appropriate model of the latter. The mesoporous material analyzed is KIT-6, processed at four different temperatures, 40°C, 70°C, 100°C and 135°C. Since this is a 3D material, an analysis of the distribution of mesopores in the crystallographic planes was carried out so that for these planes an application of notions of the structure factor based on 2D material models can be made. The verification of the structure factor model obtained is carried out through the analysis of intensities, for which information is extracted about the network parameters of the diffractograms with which the intensity is calculated from the proposed structure factor model. On the other hand, the integrated intensities of the diffraction pattern are extracted by fitting profiles. Once the validity has been verified, based on this model, a dispersion density function is proposed.