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

Rakesh Batchu (UGent) , Vladimir Galvita (UGent) , Konstantinos Alexopoulos (UGent) , Tatyana. S. Glazneva, Hilde Poelman (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)
(2020) CATALYSIS TODAY. 355. p.822-831
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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.
Keywords
General Chemistry, Catalysis, Zeolites, Pulse experiments, Isotope labelling, Microkinetic model, Reaction mechanism, CATALYTIC DEHYDRATION, ALCOHOL DEHYDRATION, TOTAL OXIDATION, BIO-ETHANOL, ETHYLENE, HYDROCARBONS, CONVERSION, ZEOLITES, TRANSFORMATION, MECHANISM

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MLA
Batchu, Rakesh, et al. “Ethanol Dehydration Pathways in H-ZSM-5 : Insights from Temporal Analysis of Products.” CATALYSIS TODAY, vol. 355, 2020, pp. 822–31, doi:10.1016/j.cattod.2019.04.018.
APA
Batchu, R., Galvita, V., Alexopoulos, K., Glazneva, T. S., Poelman, H., Reyniers, M.-F., & Marin, G. (2020). Ethanol dehydration pathways in H-ZSM-5 : insights from temporal analysis of products. CATALYSIS TODAY, 355, 822–831. https://doi.org/10.1016/j.cattod.2019.04.018
Chicago author-date
Batchu, Rakesh, Vladimir Galvita, Konstantinos Alexopoulos, Tatyana. S. Glazneva, Hilde Poelman, Marie-Françoise Reyniers, and Guy Marin. 2020. “Ethanol Dehydration Pathways in H-ZSM-5 : Insights from Temporal Analysis of Products.” CATALYSIS TODAY 355: 822–31. https://doi.org/10.1016/j.cattod.2019.04.018.
Chicago author-date (all authors)
Batchu, Rakesh, Vladimir Galvita, Konstantinos Alexopoulos, Tatyana. S. Glazneva, Hilde Poelman, Marie-Françoise Reyniers, and Guy Marin. 2020. “Ethanol Dehydration Pathways in H-ZSM-5 : Insights from Temporal Analysis of Products.” CATALYSIS TODAY 355: 822–831. doi:10.1016/j.cattod.2019.04.018.
Vancouver
1.
Batchu R, Galvita V, Alexopoulos K, Glazneva TS, Poelman H, Reyniers M-F, et al. Ethanol dehydration pathways in H-ZSM-5 : insights from temporal analysis of products. CATALYSIS TODAY. 2020;355:822–31.
IEEE
[1]
R. Batchu et al., “Ethanol dehydration pathways in H-ZSM-5 : insights from temporal analysis of products,” CATALYSIS TODAY, vol. 355, pp. 822–831, 2020.
@article{8612951,
  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.}},
  author       = {{Batchu, Rakesh and Galvita, Vladimir and Alexopoulos, Konstantinos and Glazneva, Tatyana. S. and Poelman, Hilde and Reyniers, Marie-Françoise and Marin, Guy}},
  issn         = {{0920-5861}},
  journal      = {{CATALYSIS TODAY}},
  keywords     = {{General Chemistry,Catalysis,Zeolites,Pulse experiments,Isotope labelling,Microkinetic model,Reaction mechanism,CATALYTIC DEHYDRATION,ALCOHOL DEHYDRATION,TOTAL OXIDATION,BIO-ETHANOL,ETHYLENE,HYDROCARBONS,CONVERSION,ZEOLITES,TRANSFORMATION,MECHANISM}},
  language     = {{eng}},
  pages        = {{822--831}},
  title        = {{Ethanol dehydration pathways in H-ZSM-5 : insights from temporal analysis of products}},
  url          = {{http://dx.doi.org/10.1016/j.cattod.2019.04.018}},
  volume       = {{355}},
  year         = {{2020}},
}
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