摘要
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) k J·mol-1and(72.07 ± 3.47) k J·mol-1with the frequency factors exp(12.53 ± 1.42) min-1and(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.
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 4±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） tool^-0.33. L^0.33·min^-1, respectively. Based on the kinetic model obtained, the progress of the reaction can be calculated under given conditions.
基金
the National Key Technology R&D Program(2013BAC11B03)
the Knowledge Innovation Fund of Chinese Academy of Science(KGCX2-YW-215-2)
the National Natural Science Foundation of China(21476244)
