Browsing NTNU Open by Author "Wang, Ya-Lan"
Now showing items 1-1 of 1
-
Shape selectivity in acidic zeolite catalyzed 2-pentene skeletal isomerization from first principles
Wang, Ya-Lan; Wang, Xin-Xin; Zhu, Yi-An; Zhu, Ka-Ke; Chen, De; Zhou, Xing-Gui (Journal article; Peer reviewed, 2018)Periodic density functional theory (DFT) calculations have been performed to examine the monomolecular reaction mechanism for 2-pentene skeletal isomerization catalyzed by acidic zeolite Beta, Mordenite, and ZSM-5. The use ...