Determination of Kinetic Constants for Titanium-based Ethylene Trimerization
Catalysis
Henk Hagen
10.1021/ie060133e.s001
https://acs.figshare.com/articles/journal_contribution/Determination_of_Kinetic_Constants_for_Titanium_based_Ethylene_Trimerization_Catalysis/3223291
For two titanium-based ethylene trimerization catalysts, [(Me<sub>3</sub>SiC<sub>5</sub>H<sub>3</sub>CMe<sub>2</sub>C<sub>6</sub>H<sub>3</sub>Me<sub>2</sub>)TiCl<sub>3</sub>] (<b>1</b>) and
[(Me<sub>3</sub>SiC<sub>5</sub>H<sub>3</sub>C(CH<sub>2</sub>)<sub>5</sub>C<sub>6</sub>H<sub>3</sub>Me<sub>2</sub>)TiCl<sub>3</sub>] (<b>2</b>), the entropies and enthalpies of activation for the ethylene trimerization
reaction (<i>k</i><sub>1</sub>) as well as the catalyst deactivation reaction (<i>k</i><sub>d</sub>) have been determined. Using a combination of,
on the one hand, experimental pressure and temperature data and, on the other hand, vapor−liquid equilibrium
calculations, the 1-hexene concentration as a function of time was estimated and these data were fitted to a
kinetic model to obtain the thermodynamic data. A best fit was obtained for a combination of a propagation
reaction that is first order in the ethylene concentration and a catalyst deactivation reaction that is second
order in the catalyst concentration. The measured entropies and enthalpies of activation are in good agreement
with the previously reported calculated ones.
2006-05-10 00:00:00
concentration
3 SiC 5 H 3 CMe 2 C 6 H 3
entropie
data
enthalpie
combination
5 C 6 H 3
TiCl 3
ethylene trimerization reaction
catalyst deactivation reaction