碳酸二甲酯与邻苯二酚合成愈创木酚的热力学分析

利用Benson基团贡献法计算了碳酸二甲酯,邻苯二酚,愈创木酚的热力学数据标准摩尔生成焓ΔfHm^θ、标准熵Sm^θ和热容Cp,m。对碳酸二甲酯与邻苯二酚催化合成愈创木酚反应体系进行了热力学分析,通过对反应的焓变ΔrHm,自由能变ΔrGm和平衡常数K的计算表明该反应是吸热反应,其自由能变化为负值,有较大的热力学平衡常数,且反应温度对平衡常数K影响不大,该反应可在较低温度下进行,在保持高转换率的同时,也可减少副反应,其关键是研制开发低温活性高的催化剂。

Thermodynamic Estimation of Synthesis of Guaiacol from Dimethyl Carbornate and Catechol

The standard enthalpy of formation,the standard formation entropy and heat capacity of dimethyl carbornate,catechol and guaiacol were calculated by Benson-group contribution.The changes of enthalpy,the free energy,and the equilibrium constant were evaluated according to the chemical thermodynamics principle at direct synthesis of guaiacol with dimethyl carbornate and catechol.The results showed that this reaction is endothermal,the change of free energy is negative,and the equilibrium constant K is large,th...