%0 Journal Article
%A Hagen, Henk
%D 2006
%T Determination of Kinetic Constants for Titanium-based Ethylene Trimerization
Catalysis
%U https://acs.figshare.com/articles/journal_contribution/Determination_of_Kinetic_Constants_for_Titanium_based_Ethylene_Trimerization_Catalysis/3223291
%R 10.1021/ie060133e.s001
%2 https://ndownloader.figshare.com/files/5057353
%K concentration
%K 3 SiC 5 H 3 CMe 2 C 6 H 3
%K entropie
%K data
%K enthalpie
%K combination
%K 5 C 6 H 3
%K TiCl 3
%K ethylene trimerization reaction
%K catalyst deactivation reaction
%X For two titanium-based ethylene trimerization catalysts, [(Me3SiC5H3CMe2C6H3Me2)TiCl3] (1) and
[(Me3SiC5H3C(CH2)5C6H3Me2)TiCl3] (2), the entropies and enthalpies of activation for the ethylene trimerization
reaction (k1) as well as the catalyst deactivation reaction (kd) 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.
%I ACS Publications