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

(2015)
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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.

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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.
@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},
}