Kinetics of the decomposition of dimethylhexane-1,6-dicarbamate to 1,6-hexamethylene diisocyanate

The kinetics of the decomposition of dimethylhexane-1,6-dicarbamate to 1,6-hexamethylene diisocyanate was studied. A consecutive reaction model was established and the reaction orders for the two steps were confirmed to be 1 and 1.3 by the integral test method and the numerical differential method, respectively. The activation energies of the two steps were (56.94 ± 5.90) kJ·mol− 1 and (72.07 ± 3.47) kJ·mol− 1 with the frequency factors exp(12.53 ± 1.42) min− 1 and (14.254 ± 0.84) mol− 0.33·L0.33·min− 1, respectively. Based on the kinetic model obtained, the progress of the reaction can be calculated under given conditions.

Graphical AbstractThe kinetics of the decomposition of dimethylhexane-1,6-dicarbamate to 1,6-hexamethylene diisocyanate was studied. A consecutive reaction model was established, and the reaction orders and activation energies for the two steps were confirmed. Based on the kinetic model obtained, the progress of the reaction can be calculated under given conditions.Figure optionsDownload as PowerPoint slide