%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