Ethanol dehydration pathways in H-ZSM-5: Insights from temporal analysis of products

Rakesh Batchu, Vladimir V. Galvita, Konstantinos Alexopoulos, Tatyana S. Glazneva, Hilde Poelman, Marie Francoise Reyniers, Guy B. Marin

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

Ethanol dehydration to ethene via direct and ether mediated paths is mechanistically investigated via transient experiments in a Temporal analysis of products, TAP-3E reactor over a temperature range of 473–573 K in Knudsen regime conditions. Pulse experiments of ethanol over H-ZSM-5 do not yield diethyl ether as a gas phase product. Cofeed experiments with diethyl ether and C-13 labeled ethanol show that ethene formation from diethyl ether is the preferential route. Kinetic parameters from ab initio based microkinetic modelling of ethanol dehydration are compared to the experimental data of the TAP reactor by an in-house developed reactor model code TAPFIT. Rate coefficients in ethene adsorption are in agreement with the ab initio based microkinetic modelling parameters. The experimental data from a diethyl ether feed are compared to the simulated responses from the ab initio based kinetic parameters and further optimized by regression analysis. Reaction path analysis with the optimized kinetic parameters identifies the preference of an ether mediated path under the applied transient experimental conditions.

Original languageEnglish
Pages (from-to)822-831
Number of pages10
JournalCatalysis Today
Volume355
Early online date8 Apr 2019
DOIs
Publication statusPublished - 15 Sep 2020
Externally publishedYes

Keywords

  • Isotope labelling
  • Microkinetic model
  • Pulse experiments
  • Reaction mechanism
  • Zeolites

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