%0 Journal Article
%T Studies on Hexafluoropropene Dimer Isomerization
%A Xianjin Chen
%J Open Access Library Journal
%V 10
%N 9
%P 1-7
%@ 2333-9721
%D 2023
%I Open Access Library
%R 10.4236/oalib.1110575
%X Hexafluoropropylene dimer serves as a representative template for the synthesis of various fluorinated substances. Isomerization of two dimers is an important reaction. The changes in single-point energies for isomerization were calculated, and it was found that the most stable compound is Perfluoro (2-methylpent-2-ene) with a single-point energy of -3745686.47 KJ/mol. The kinetics of hexafluoropropene dimer isomerization were experimentally investigated in the temperature range of 303 - 343 K using KF and 18-crown-6 as catalysts. The activation energy (E = 76.64 kJ/mol) was calculated. The reaction kinetics equation can be expressed as r = 4.14 กม 10<sup>11</sup> exp (-9217.7/T) C<sub>D-1</sub>. The simulation results for both thermodynamics and kinetics showed good agreement with the experiment.
%K Hexafluoropropylene
%K Dimer
%K Isomerization
%K Perfluoro(2-Methylpent-2-Ene)
%K Simulation
%U http://www.oalib.com/paper/6802841