乙酰柠檬酸三丁酯合成反应的热力学分析  

Thermodynamic Analysis of Acetyl Tributyl Citrate Synthesis

作　　者：王伟 钱文珍 刘宝勇[1] 李洪光[2] WANG Wei;QIAN Wenzhen;LIU Baoyong;LI Hongguang(School of Chemical and Biological Engineering,Lanzhou Jiaotong University,Lanzhou 730070,China;Key Laboratory of Colloid and Interface Chemistry,School of Chemistry and Chemical Engineering,Shandong University,Ministry of Education,Jinan 250100,China)

机构地区：[1]兰州交通大学化学与生物工程学院,甘肃兰州730070 [2]山东大学化学与化工学院,胶体与界面化学教育部重点实验室,山东济南250100

出　　处：《聊城大学学报（自然科学版）》2021年第4期29-36,共8页Journal of Liaocheng University:Natural Science Edition

基　　金：国家自然科学基金项目(21875129)资助。

摘　　要：采用基团贡献法分别估算了柠檬酸(CA)、正丁醇(NBA)、柠檬酸三丁酯(TBC)、乙酸酐(AR)、乙酰柠檬酸三丁酯(ATBC)和醋酸(AA)的热力学数据,通过计算分别得到了不同温度下直接酯化合成TBC液相反应和乙酰化合成ATBC液相反应的标准摩尔反应焓变、标准摩尔反应熵变、标准摩尔反应吉布斯自由能变及化学反应平衡常数,并进一步对上述两反应进行了热力学分析.分析结果表明:在合成温度范围内,NBA与CA的直接酯化反应为自发吸热过程,升高温度有利于反应正向进行;TBC与AR的乙酰化反应为自发放热过程,降低温度有利于反应正向进行.The group contribution method was used to estimate the thermodynamic properties of citric acid(CA),n-butanol(NBA),tributyl citrate(TBC),acetic anhydride(AR),acetyl tributyl citrate(ATBC)and acetic acid(AA).And thermodynamic data of direct esterification synthesis TBC liquid reaction and acetylation synthesis ATBC liquid reaction in different temperature,such as standard molar reaction enthalpy change,standard molar reaction entropy change,standard molar Gibbs free energy change and equilibrium constants of chemical reaction,were further calculated,respectively.Furthermore,thermodynamic analysis of above reactions show that the direct esterification reaction of NBA and CA is an spontaneous endothermic reaction and the reaction occurs more easily at higher temperature in the synthetic temperature range.On the other hand,the acylation reaction of TBC and AR is an exothermic spontaneous process and lower temperature favors the formation of products.

关 键 词：柠檬酸三丁酯 乙酰柠檬酸三丁酯 基团贡献法 热力学分析 

分 类 号：Q642.1[生物学—生物物理学]