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Nanostructured zeolite with brain-coral morphology and tailored acidity: A self-organized hierarchical porous material with MFI topology - data

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posted on 2024-10-30, 07:32 authored by E Selvam, RK Parsapur, CE Hernandez-Tamargo, NH de Leeuw, P Selvam

The dataset has been produced from a collaboration between Prof Nora de Leeuw's computational chemistry group at Cardiff University and Prof P. Selvam’s experimental group at the National Centre for Catalysis Research, IIT-Madras. The work is related to the development of nano-structured zeolite ZSM-5 with applications in catalysis.

The dataset consists in text and excel files containing the data from XRD, adsorption-desorption isotherms, DLS, NMR, TPD, IR and kinetic experiments produced during the characterization of the material.

DFT modelling complements the experiments through the calculation of the adsorption energy of ammonia on the external and internal acid sites of zeolite MFI. The values of adsorption energies are compiled in an excel file.

Research results based upon these data are published at https://doi.org/10.1039/D0CE00989J


Funding

Computational study of zeolites as catalysts for the chemical conversion of lignin-derived compounds (2014-04-07 - 2018-03-30). Funder: Engineering and Physical Sciences Research Council

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  • English-Great Britain (EN-GB)

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