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化工学报  2015 

尿素法合成甲苯二氨基甲酸苯酯反应体系的热力学分析

DOI: 10.11949/j.issn.0438-1157.20150879, PP. 3367-3376

Keywords: 甲苯二胺,甲苯二氨基甲酸苯酯,基团贡献法,热力学分析

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Abstract:

尿素、甲苯二胺与苯酚反应合成甲苯二氨基甲酸苯酯为一复合反应体系。对该类反应体系进行分析并提出了本反应的4种可能反应路径,采用基团贡献法对4种反应路径中各组分的热力学数据以及各反应的焓变、Gibbs自由能变和平衡常数进行了计算,依据热力学计算结果并结合文献实验数据分析反应路径的可行性及难易程度。结果表明,由尿素、甲苯二胺与苯酚合成甲苯二氨基甲酸苯酯的较好反应路径为:尿素首先与苯酚反应合成氨基甲酸苯酯,然后氨基甲酸苯酯与甲苯二胺反应得到终产物甲苯二氨基甲酸苯酯。计算及分析结果可为该反应的实验研究及过程开发提供理论指导。

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