The doi above is for this specific version of this dataset, which is currently the latest. Newer versions may be published in the future. For a link that will always point to the latest version, please use
doi: 10.4121/19406789

Liu, Chuncheng; Uslamin, Evgeny; Khramenkova, Elena; Sireci, Enrico; Ouwehand, Lucas T. L. J. et. al. (2022): Data underlying the publication: High Stability of Methanol to Aromatic Conversion over Bimetallic Ca,Ga-Modified ZSM-5. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/19406789.v1

Dataset

• Chemical Engineering

bimetallic catalyst, catalyst deactivation, dehydrogenation, global optimization, methanol-to-aromatics

CC BY 4.0

RefWorks, BibTeX, Reference Manager, Endnote, DataCite, NLM, DC, CFF

by Chuncheng Liu, Evgeny Uslamin , Elena Khramenkova , Enrico Sireci, Lucas T. L. J. Ouwehand, Swapna Ganapathy, Freek Kapteijn, Evgeny 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.

• 2022-03-29 first online, published, posted

4TU.ResearchData

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.

High Stability of Methanol to Aromatic Conversion over BimetallicCa,Ga-Modified ZSM‑5

• 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)

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