环氧乙烷与甲胺合成N-甲基二乙醇胺的热力学分析

使用ABW法、费多斯基团加和法等,计算了N-甲基二乙醇胺(MDEA)的基础数据及其热力学数据,对环氧乙烷(EO)与甲胺合成MDEA的化学反应进行系统的热力学分析,提供了理论上该合成工艺所需条件。建立了该反应的反应焓变、Gibbs自由能变以及反应平衡常数对反应温度的变化关系。得出结论为该反应为自发放热反应,降低温度,反应有利于向MDEA合成的方向进行;若温度过低,反应速率减慢,目标产物产率下降。在工业生产中,该合成反应一般控制温度在100—150℃,反应器内的压强一般为3—6 MPa。

Thermodynamic analysis for synthesizing N-methyl diethanolamine with ethylene oxide and armour amine

The basic data and thermodynamic data of N-methyl diethanolamine(MDEA) were calculated by ABW,Fedors' groups addition,obtaining a detailed thermodynamic analysis of synthesizing MDEA with EO and armour amine.It provides the conditions required for the synthesis process in theory.The relationship of reactive temperature with reactive enthalpy,Gibbs free energy,as well as the equilibrium constant was established.The results show that it is an exothermic spontaneously reaction.The lower the temperature is,the easier the reaction is advancing toward synthesis of MDEA.However,the reaction takes longer time because of the slow reactive rate,thus leading to the decrease of products yields if the reaction temperature is not high enough.Therefore,in the industrial production,the reaction is taken place at about 100-150 ℃ and the pressure in the reactor is generally 3-6 MPa.