苯酚与叔丁醇烷基化反应的热力学研究.pdf

化工进展
2014年第3巻第3期 CHEMICAL INDUSTRY AND ENGINEERING PROGRESS
583
Cccc/Cnc
研究开发
苯酚与叔丁醇烷基化反应的热力学研究
袁海宽2,张天骏,任杰2,楼寅山
(浙江工业大学化工与材料学院,浙江杭州310014:2浙江工业大学化工与材料学院浙江省生物质燃料利用
技术研究重点实验室,浙江杭州310014
搞要:采用热力学计算方法研究了苯酚与叔丁醇烷基化反应热力学,研究结果表明,苯酚与叔丁醇烷基化反应
是自发进行的放热反应,反应热效应和反应平衡常数均随着温度升高而减小。在相同的温度下,与苯酚羟基上
成醚反应相比,苯酚C上烷基化反应的自发进行趋势和反应平衡常数均较大。苯酚C上烷基化反应中,三取代
反应的自发进行趋势和反应平衡常数均最大,二取代反应居中,一取代反应最小。与气相反应相比,液相烷基
化反应放热量较大,其自发进行趋势和反应平衡常数均较大,反应以液相进行更有利
关键词:烷基化;热力学;平衡;化学反应;热效应
中图分类号:TQ243文献标志码:A文章编号:1000-6613(2014)03-0583-07
DOI:10.39695.issn.10006613,2014.03.010
Thermodynamic study on phenol alkylation with tert-butyl alcoho.
(TBA)
YUAN Haikuan, ZHANG Tianjun, REN Jie, LOU Yinshan
(College of Chemical Engineering and Materials Science, University of Zhejiang Technology, Hangzhou 310014
Zhejiang, China; Zhejiang Province Key Laboratory of Biomass Fuel, University of Zhejiang Technology, Hangzhou
310014, Zhejiang, China)
Abstract: Thermodynamics of phenol alkylation with ter-butyl alcohol(TBA )was studied. The result
showed that phenol alkylation with TB A was spontaneous exothermic reaction. The heat effect and
equilibrium constant decreased with the increase of temperature. Compared with the ether reaction on
the hydroxyl group of phenol at the same temperature, the alkylation reaction on the carbon of phenol
occurred more spontaneously, and the reaction equilibrium constant was higher. In the alkylation
reactions on the carbons of phenol, the tribasic reaction occurred most spontaneously and the reaction
equilibrium constant was the maximum, the dibasic one was in the middle and the monobasic got the
lowest. Compared with the gas-phase reaction, the output of alkylation heat in liquid phase was higher
than that in gas phase, and the reaction occurred more spontaneously and owned the greater reaction
equilibrium constant. Therefore, the reaction was favored in liquid phase.
Key words: alkylation thermodynamics; equilibrium; chemical reaction; heat effect
苯酚与叔丁醇烷基化生成的叔丁基苯酚是精细艺、白土催化工艺和离子交换树脂工艺。液体酸催
化工生产中重要的产品及中问体,广泛用于表面活化工艺副反应多,催化剂难回收再利用且强酸易腐
性剂、抗氧剂、油漆、涂料的生产。其中,对叔丁蚀设备,还有废水污染环境。白土催化工艺以改性
基苯酚(4-TBP)和2,4-二叔丁基苯酚(2,4-DTBP)
目前生产叔丁基苯酚的工艺主要有液体酸催化工土生导师, E-mail renjie. i20u'必3010
是两种重要的叔丁基苯酚,在我国需求量日益增大。
收稿日期:2013-07-18;修改稿日期:20
第一作者:袁海宽(1978-),博士
师。联系人:任杰,教授,博