中国科学院过程工程研究所机构知识库

Clean synthesis of dimethylhexane-1,6-dicarbamate (HDC) from methoxycarbonylation of 1,6-hexanediamine (HDA) with dimethyl carbonate (DMC) was studied. Among several heterogeneous and homogeneous catalysts, Mn(OAc)(2) was screened as the most effective catalyst over which the kinetic balance could be reached within 2-3h. Then the kinetic model of the methoxycarbonylation of HDA with DMC using Mn(OAc)(2) catalyst, under the real reaction conditions was established. Results indicated that the reaction orders were confirmed to be 4.5 for the first step reaction and 4.3 for the second step reaction by the numerical differential method. In addition, the activation energies for the first and second step reaction were 47.0514 and 60.4504kJmol(-1) and the frequency factors were 1.4645 x 10(2) and 3.6519 x 10(4)min(-1), respectively. Moreover, the kinetic model correlated well with experimental data. This study not only provides a highly efficient catalyst for the methoxycarbonylation of HDA with DMC but also gives the guidance for the design of the reactor by studying its kinetic under real reaction conditions.