Effect of the zeolite nanocavity on the reaction mechanism of n-hexane cracking: A density functional theory study

Journal of Physical Chemistry C

Volumn 114, Issue 17, 2010, Pages 7850-7856

  Maihom, T ^a   Pantu, P ^a   Tachakritikul, C ^b   Probst, M ^c   Limtrakul, J ^a  

^a KASETSART UNIVERSITY   (Thailand)

^b PTT PUBLIC COMPANY LIMITED   (Thailand)

^c UNIVERSITY OF INNSBRUCK   (Austria)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; ADSORPTION ENERGIES; C-C BONDS; CONFINEMENT EFFECTS; EXPERIMENTAL MEASUREMENTS; H-ZSM-5; HZSM-5 ZEOLITES; LONDON DISPERSION ENERGIES; N-HEXANE; NANO-CAVITIES; PORE ZEOLITES; PROTONATED; RATE DETERMINING STEP; REACTION MECHANISM; VAN DER WAALS INTERACTIONS;

ADSORPTION; CHEMICAL BONDS; CRACKING (CHEMICAL); DENSITY FUNCTIONAL THEORY; HEXANE; SILICATE MINERALS; VAN DER WAALS FORCES; ZEOLITES;

ACTIVATION ENERGY;

EID: 77951926622     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp911732p     Document Type: Article

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