Quantum-chemical study of the isobutane cracking on zeolites

V.B. Kazansky, M.V. Frash, R.A. Santen, van

Research output: Contribution to journalArticleAcademicpeer-review

106 Citations (Scopus)
64 Downloads (Pure)

Abstract

An ab initio quantum chem. investigation of the elementary steps of catalytic isobutane cracking is presented. A reasonable agreement between exptl. and theor. activation energies is found. The results demonstrate that the adsorbed carbenium and carbonium ions represent not the existing reaction intermediates, but the high-energy transition states of the corresponding elementary reactions. This results in much higher activation energies than for the similar reactions in homogeneous superacid solns
Original languageEnglish
Pages (from-to)225-247
JournalApplied Catalysis. A, General
Volume146
Issue number1
DOIs
Publication statusPublished - 1996

Fingerprint Dive into the research topics of 'Quantum-chemical study of the isobutane cracking on zeolites'. Together they form a unique fingerprint.

Cite this