摘要
设计了7种苯在温和条件下一步胺化合成苯胺的反应体系,通过计算每个体系的吉布斯函数值,判断体系是否能自发进行。其中以氨水为胺化剂、双氧水为氧化剂的反应体系过程推动力最大,为294.427kJ/mol。讨论了该体系在不同反应条件下的标准吉布斯函数值,平衡常数和平衡转化率。结果表明:该体系能自发进行,在所讨论的温度范围内,其平衡常数很大,苯的平衡转化率接近100%。
Seven systems of one-step synthesis of aniline under mild conditions were designed first, and it was determined which one could occur spontaneously through the calculation of Gibbs free energy of every system, which could provide theoretical foundations for the synthesis. Among the seven sys- tems, the Gibbs free energy of the one with ammonia as the aminating agent and hydrogen peroxide as the oxidant was the lowest, thus its process driving force was the largest, that is, 294. 427 kJ/mol. For the system mentioned above, the standard Gibbs free energies, the equilibrium constant and the e- quilibrium conversions of benzene under different conditions were discussed, which indicated that this system can occur spontaneously. The equilibrium constant was very large at the temperature dis- cussed, thus the equilibrium conversions of benzene was approximately 100%.
出处
《精细石油化工》
CAS
CSCD
北大核心
2013年第1期5-7,共3页
Speciality Petrochemicals
基金
吉林省教育厅"十一五"科学技术研究项目(吉教科合字[2008]第423号)
关键词
一步合成苯胺
苯胺
吉布斯自由能
热力学分析
one-step synthesis of aniline
aniline
Gibbs free energies
thermodynamic analysis
