化工学报2015，Vol.66Issue(9)：3367-3376,10.DOI:10.11949/j.issn.0438-1157.20150879
尿素法合成甲苯二氨基甲酸苯酯反应体系的热力学分析
Thermodynamic analysis on synthesis of diphenyl toluene dicarbamate via urea route
摘要
Abstract
The synthesis of diphenyl toluene dicarbamate from urea, toluene diamine and phenol is a complex reaction system. On the basis of the analysis for similar reaction system, four possible reaction pathways for synthesizing diphenyl toluene dicarbamate via urea route were proposed. The fundamental thermodynamic data of components in this reaction system were calculated by several methods of group contribution. The reaction enthalpy, Gibbs free energy change and equilibrium constant of all the reactions of the four possible reaction pathways were obtained. According to the results of thermodynamic calculation and experimental data in literature, the feasibility and difficulty of each reaction pathway were discussed. The results show that a better reaction pathway is urea reaction with phenol to give phenyl carbamate and then phenyl carbamate interacting with toluene diamine to form diphenyl toluene dicarbamate. The results from thermodynamic calculation and analysis can provide a theoretical basis for the experimental study and process development of the reaction.关键词
甲苯二胺/甲苯二氨基甲酸苯酯/基团贡献法/热力学分析Key words
toluene diamine/diphenyl toluene dicarbamate/methods of group contribution/thermodynamic analysis分类
化学化工引用本文复制引用
崔雪霞,王桂荣,赵茜,李欣,赵新强,王延吉..尿素法合成甲苯二氨基甲酸苯酯反应体系的热力学分析[J].化工学报,2015,66(9):3367-3376,10.基金项目
河北省自然科学基金项目(B2011202054) （B2011202054）
河北省高等学校科学技术研究项目(Z2013062) （Z2013062）
高等学校博士学科点专项科研基金项目(20121317110009).supported by the Natural Science Foundation of Hebei Province (B2011202054), the Science and Technology Research Projects of Higher Education of Hebei Province (Z2013062) and the Specialized Research Fund for the Doctoral Program of Higher Education of China (20121317110009). （20121317110009）
