Data_archive_4TU_repositorory_High Stability of Methanol to Aromatic Conversion over Bimetallic Ca,Ga-Modified (99.21 MB)
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Data underlying the publication: High Stability of Methanol to Aromatic Conversion over Bimetallic Ca,Ga-Modified ZSM-5

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posted on 2022-03-29, 06:56 authored by Chuncheng Liu, Evgeny UslaminEvgeny Uslamin, Elena KhramenkovaElena Khramenkova, Enrico Sireci, Lucas T. L. J. Ouwehand, Swapna Ganapathy, Freek Kapteijn, Evgeny PidkoEvgeny Pidko
There are two folders: Experimental_data and Theoretical_data. The Experimental_data contains the experimental results on metal contents determined by ICP analysis; XRD patterns; unit-cell lattice parameters and crystallinity results of all catalysts; FTIR spectra; MeOH conversion and carbon yields of BTEX and MTA. The Theoretical_data folder contains the results on the genetic algorithm, structures optimization and reaction mechanisms of ethane dehydrogenation. The structure of the theoretical data is described in the README file.


The Advanced Research Center Chemical Building Blocks Consortium (ARC CBBC) [grant number 2016.007.TUD]

The European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no. 725686)

NWO Domain Science (supercomputer facilities)





The folder Experimental_data has Microsoft Excel files (xlsx). The folder Theoretical_data contains python scripts in formats ipynb and py; the geometries of the structures in format xyz; and README file in .txt format.


TU Delft, Faculty of Applied Sciences, Department of Chemical Engineering