Multiscale modelling from quantum level to reactor scale: An example of ethylene epoxidation on silver catalysts
Journal article, 2019
Reactor
First-principles
Multiscale modelling
Silver catalyst
Ethylene epoxidation
Author
Matej Hus
Chalmers, Physics, Chemical Physics
National Institute of Chemistry
M. Grilc
National Institute of Chemistry
Andraž Pavlišič
National Institute of Chemistry
B. Likozar
National Institute of Chemistry
Anders Hellman
Chalmers, Physics, Chemical Physics
Catalysis Today
0920-5861 (ISSN)
Vol. 338 128-140Areas of Advance
Nanoscience and Nanotechnology (SO 2010-2017, EI 2018-)
Energy
Materials Science
Subject Categories
Chemical Process Engineering
Other Chemical Engineering
Theoretical Chemistry
Infrastructure
C3SE (Chalmers Centre for Computational Science and Engineering)
DOI
10.1016/j.cattod.2019.05.022