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Exploring new frontiers in modeling complex zeolite-catalyzed reactions using advanced molecular dynamics techniques

Kristof De Wispelaere UGent, B Ensing, An Ghysels UGent, EJ Meijer and Veronique Van Speybroeck UGent (2015)
abstract
We show the potential of advanced molecular dynamics techniques to obtain insight into the complex MTO process by thoroughly studying proton mobility and mapping free energy surfaces of reaction steps at high temperature. The applied methodology can be used to unravel any complex zeolitic process at the nanometer scale level.
Please use this url to cite or link to this publication:
author
organization
year
type
conference
publication status
published
subject
article number
O-Th-408-13
pages
2 pages
conference name
NAM34
conference location
Pittsburgh, PA, USA
conference start
2015-06-14
conference end
2015-06-19
language
English
UGent publication?
yes
classification
C3
copyright statement
I have transferred the copyright for this publication to the publisher
id
6843922
handle
http://hdl.handle.net/1854/LU-6843922
alternative location
https://nam.confex.com/nam/2015/meetingapp.cgi/Paper/12530
date created
2015-06-23 13:27:34
date last changed
2016-12-21 15:41:06
@inproceedings{6843922,
  abstract     = {We show the potential of advanced molecular dynamics techniques to obtain insight into the complex MTO process by thoroughly studying proton mobility and mapping free energy surfaces of reaction steps at high temperature. The applied methodology can be used to unravel any complex zeolitic process at the nanometer scale level.},
  articleno    = {O-Th-408-13},
  author       = {De Wispelaere, Kristof and Ensing, B and Ghysels, An and Meijer, EJ and Van Speybroeck, Veronique},
  language     = {eng},
  location     = {Pittsburgh, PA, USA},
  pages        = {2},
  title        = {Exploring new frontiers in modeling complex zeolite-catalyzed reactions using advanced molecular dynamics techniques},
  url          = {https://nam.confex.com/nam/2015/meetingapp.cgi/Paper/12530},
  year         = {2015},
}

Chicago
De Wispelaere, Kristof, B Ensing, An Ghysels, EJ Meijer, and Veronique Van Speybroeck. 2015. “Exploring New Frontiers in Modeling Complex Zeolite-catalyzed Reactions Using Advanced Molecular Dynamics Techniques.” In .
APA
De Wispelaere, K., Ensing, B., Ghysels, A., Meijer, E., & Van Speybroeck, V. (2015). Exploring new frontiers in modeling complex zeolite-catalyzed reactions using advanced molecular dynamics techniques. Presented at the NAM34.
Vancouver
1.
De Wispelaere K, Ensing B, Ghysels A, Meijer E, Van Speybroeck V. Exploring new frontiers in modeling complex zeolite-catalyzed reactions using advanced molecular dynamics techniques. 2015.
MLA
De Wispelaere, Kristof, B Ensing, An Ghysels, et al. “Exploring New Frontiers in Modeling Complex Zeolite-catalyzed Reactions Using Advanced Molecular Dynamics Techniques.” 2015. Print.