Theoretical investigation of the olefin cycle in H-SSZ-13 for the ethanol-to-olefins process using ab initio calculations and kinetic modeling

Author:

Amsler Jonas1ORCID,Bernart Sarah1ORCID,Plessow Philipp N.1ORCID,Studt Felix12ORCID

Affiliation:

1. Institute of Catalysis Research and Technology, Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany

2. Institute for Chemical Technology and Polymer Chemistry, Karlsruhe Institute of Technology, Kaiserstr. 12, 76131 Karlsruhe, Germany

Abstract

The formation of the hydrocarbon pool (HCP) in the ethanol-to-olefins (ETO) process catalyzed by H-SSZ-13 is studied in a kinetic model with ab initio computed reaction barriers.

Funder

Helmholtz-Gemeinschaft

Deutsche Forschungsgemeinschaft

Ministerium für Wissenschaft, Forschung und Kunst Baden-Württemberg

Publisher

Royal Society of Chemistry (RSC)

Subject

Catalysis

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