First-principle kinetic study of butene cracking on H-ZSM-5
ISBN/ISSN:
Poster
Conference / event / venue
6th FEZA Conference 2014
Leipzig, Germany
Monday, 8 September, 2014 to Thursday, 11 September, 2014
* Ab initio modeling of heterogeneous catalysis * Zeolites and nanoporous materials * Olefin cracking and methanol-to-olefins process * Molecular dynamics simulations and free energy methods