DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
- Author
- Konstantinos Alexopoulos (UGent) , Mathew John (UGent) , Kristof Van der Borght (UGent) , Vladimir Galvita (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)
- Organization
- Keywords
- 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
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Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-8054328
- MLA
- Alexopoulos, Konstantinos, et al. “DFT-Based Microkinetic Modeling of Ethanol Dehydration in H-ZSM-5.” JOURNAL OF CATALYSIS, vol. 339, 2016, pp. 173–85, doi:10.1016/j.jcat.2016.04.020.
- 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. https://doi.org/10.1016/j.jcat.2016.04.020
- Chicago author-date
- 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: 173–85. https://doi.org/10.1016/j.jcat.2016.04.020.
- Chicago author-date (all authors)
- 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. doi:10.1016/j.jcat.2016.04.020.
- 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.
- IEEE
- [1]K. Alexopoulos, M. John, K. Van der Borght, V. Galvita, M.-F. Reyniers, and G. Marin, “DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5,” JOURNAL OF CATALYSIS, vol. 339, pp. 173–185, 2016.
@article{8054328, author = {{Alexopoulos, Konstantinos and John, Mathew and Van der Borght, Kristof and Galvita, Vladimir and Reyniers, Marie-Françoise and Marin, Guy}}, issn = {{0021-9517}}, journal = {{JOURNAL OF CATALYSIS}}, keywords = {{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://doi.org/10.1016/j.jcat.2016.04.020}}, volume = {{339}}, year = {{2016}}, }
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