对苯二甲酸酯化合成对苯二甲酸二甲酯的反应热力学计算及分析  

Dimethyl terephthalate synthesis from methyl terephthalate:Thermodynamic computation and analysis

作　　者：孙玉洁 景旋 胡利如 唐建兴 王余伟 Sun Yujie;Jing Xuan;Hu Liru;Tang Jianxing;Wang Yuwei(Research Institute of Sinopec Yizheng Chemical Fibre Co.,Ltd.,Yizheng Jiangsu 211900,China)

机构地区：[1]中国石化仪征化纤有限责任公司研究院,江苏仪征211900

出　　处：《合成技术及应用》2023年第4期51-54,58,共5页Synthetic Technology & Application

摘　　要：为研究对苯二甲酸(PTA)甲酯化合成对苯二甲酸二甲酯(DMT)过程的反应热力学,利用Aspen Plus对标准状态及非标准状态不同温度下体系内各物质的摩尔生成焓、摩尔生成熵、吉布斯自由能及反应过程的焓变、熵变及吉布斯自由能变进行模拟及计算。当反应温度小于100℃时,反应很难发生;当反应温度大于100℃时,生成对苯二甲酸单甲酯(MMT)的反应焓变大于0,熵变大于0,吉布斯自由能变小于0;生成DMT的熵变小于0,吉布斯自由能变大于0,反应焓变在温度小于300℃时大于0,当温度达到300℃,小于0。生成MMT反应为不可逆吸热反应,容易发生,且进行的很彻底;生成DMT反应为可逆反应,且无法自发进行,为该反应体系提供了标准状态及非标准状态下的热力学依据。The molar enthalpy of formation,molar entropy of formation,and Gibbs free energy of each substance in the system at different temperatures in standard state and non-standard state,as well as the enthalpy change,entropy change,and Gibbs free energy change of reaction process were simulated and calculated by Aspen Plus in order to study the reaction thermodynamics of the synthesis of terephthalic acid(PTA)methyl ester into dimethyl terephthalate(DMT).It is difficult for a reaction to occur when the reaction temperature is below 100℃.The enthalpy,entropy,and Gibbs free energy changes of MMT are all greater than zero when the reaction temperature is higher than 100℃.Less than zero entropy is required to create MMT,whereas greater than zero Gibbs free energy is required,greater than zero enthalpy is required for temperatures below 300℃,and less than zero enthalpy is required at temperatures over 300℃.The creation of MMT is an irreversible endothermic reaction that happens quickly and completely.The reversible and non-spontaneous nature of the DMT generation reaction offers a thermodynamic basis for both standard and non-standard states of the reaction system.

关 键 词：对苯二甲酸 甲醇 酯化 对苯二甲酸二甲酯 反应热力学 

分 类 号：TQ03[化学工程]