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DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5

Konstantinos Alexopoulos, Mathew John, Kristof Van der Borght, Vladimir Galvita UGent, Marie-Françoise Reyniers UGent and Guy Marin UGent (2016) JOURNAL OF CATALYSIS. 339. p.173-185
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
DENSITY-FUNCTIONAL THEORY, INITIO MOLECULAR-DYNAMICS, AUGMENTED-WAVE METHOD, AB-INITIO, ADSORPTION THERMODYNAMICS, AQUEOUS-SOLUTION, SADDLE-POINTS, ZEOLITES, CONVERSION, ETHYLENE, DFT, Dispersion energy, Zeolites, Bronsted acid sites, Reaction mechanism, Microkinetic model
journal title
JOURNAL OF CATALYSIS
volume
339
pages
173 - 185
Web of Science type
Article
Web of Science id
000378453700020
JCR category
ENGINEERING, CHEMICAL
JCR impact factor
6.844 (2016)
JCR rank
5/135 (2016)
JCR quartile
1 (2016)
ISSN
0021-9517
DOI
10.1016/j.jcat.2016.04.020
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
8054328
handle
http://hdl.handle.net/1854/LU-8054328
date created
2016-08-24 16:28:29
date last changed
2017-03-09 12:54:26
@article{8054328,
  author       = {Alexopoulos, Konstantinos and John, Mathew and Van der Borght, Kristof and Galvita, Vladimir and Reyniers, Marie-Fran\c{c}oise and Marin, Guy},
  issn         = {0021-9517},
  journal      = {JOURNAL OF CATALYSIS},
  keyword      = {DENSITY-FUNCTIONAL THEORY,INITIO MOLECULAR-DYNAMICS,AUGMENTED-WAVE METHOD,AB-INITIO,ADSORPTION THERMODYNAMICS,AQUEOUS-SOLUTION,SADDLE-POINTS,ZEOLITES,CONVERSION,ETHYLENE,DFT,Dispersion energy,Zeolites,Bronsted acid sites,Reaction mechanism,Microkinetic model},
  language     = {eng},
  pages        = {173--185},
  title        = {DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5},
  url          = {http://dx.doi.org/10.1016/j.jcat.2016.04.020},
  volume       = {339},
  year         = {2016},
}

Chicago
Alexopoulos, Konstantinos, Mathew John, Kristof Van der Borght, Vladimir Galvita, Marie-Françoise Reyniers, and Guy Marin. 2016. “DFT-based Microkinetic Modeling of Ethanol Dehydration in H-ZSM-5.” Journal of Catalysis 339: 173–185.
APA
Alexopoulos, K., John, M., Van der Borght, K., Galvita, V., Reyniers, M.-F., & Marin, G. (2016). DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5. JOURNAL OF CATALYSIS, 339, 173–185.
Vancouver
1.
Alexopoulos K, John M, Van der Borght K, Galvita V, Reyniers M-F, Marin G. DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5. JOURNAL OF CATALYSIS. 2016;339:173–85.
MLA
Alexopoulos, Konstantinos, Mathew John, Kristof Van der Borght, et al. “DFT-based Microkinetic Modeling of Ethanol Dehydration in H-ZSM-5.” JOURNAL OF CATALYSIS 339 (2016): 173–185. Print.