TY - GEN
T1 - Effects of cation migration upon energetics of Fe/Zsm-5 catalyzed reactions
AU - Lund, Carl R.
AU - Chen, Bin
PY - 2005
Y1 - 2005
N2 - Isolated iron cations that are ion-exchanged into ZSM-5 can migrate to different locations on the walls of the zeolite channel. The preferred location can change depending upon the identity of the species adsorbed on the cation and upon the proximity of additional cations. The energetic consequences of this cation migration upon the thermochemistry of catalytic N2O decomposition were studied using density functional theory. The promotional effect of gas phase NO was also studied. It can be explained in terms of the reduction of a surface oxo species generating gas phase NO2, followed by its gas phase decomposition, regenerating NO. This is an abstract of a paper presented at the AIChE Annual Meeting and Fall Showcase (Cincinnati, OH 10/30/2005-11/4/2005).
AB - Isolated iron cations that are ion-exchanged into ZSM-5 can migrate to different locations on the walls of the zeolite channel. The preferred location can change depending upon the identity of the species adsorbed on the cation and upon the proximity of additional cations. The energetic consequences of this cation migration upon the thermochemistry of catalytic N2O decomposition were studied using density functional theory. The promotional effect of gas phase NO was also studied. It can be explained in terms of the reduction of a surface oxo species generating gas phase NO2, followed by its gas phase decomposition, regenerating NO. This is an abstract of a paper presented at the AIChE Annual Meeting and Fall Showcase (Cincinnati, OH 10/30/2005-11/4/2005).
UR - https://www.scopus.com/pages/publications/33646741617
M3 - Conference contribution
AN - SCOPUS:33646741617
SN - 0816909962
SN - 9780816909964
T3 - AIChE Annual Meeting Conference Proceedings
BT - 05AIChE
PB - American Institute of Chemical Engineers
T2 - 05AIChE: 2005 AIChE Annual Meeting and Fall Showcase
Y2 - 30 October 2005 through 4 November 2005
ER -