甘油与烯烃醚化的非均相反应热力学研究  

Thermodynamic Study of Heterogeneous Reaction for Etherification of Glycerol and Olefin

作　　者：张叶 贾广信[1] 吕捷 谢亚宁 田锴 柳来栓[1] ZHANG Ye;JIA Guangxin;L Jie;XIE Yaning;TIAN Kai;LIU Laishuan(School of Chemistry and Chemical Engineering,North University of China,Taiyuan 030051,China)

机构地区：[1]中北大学化学与化工学院,山西太原030051

出　　处：《中北大学学报（自然科学版）》2023年第2期154-161,共8页Journal of North University of China(Natural Science Edition)

基　　金：山西省自然科学基金(201901D111177)。

摘　　要：甘油可以与烯烃醚化合成烷基甘油醚混合物。本文基于吉布斯自由能全局最小化法,采用改进遗传算法对丙烯+甘油、异丁烯+甘油合成烷基甘油醚的非均相反应过程进行了热力学平衡分析与比较。在烯烃与甘油的初始物质的量比为4∶1~8∶1时,探究了温度(313 K~573 K)和压强(0.1 MPa~0.8 MPa)对原料转化率、产物选择性和气液相平衡组成的影响。通过热力学计算发现,当烯烃与甘油的进料物质的量比为4∶1,温度在313 K~453 K的范围内时,有利于三烷基甘油醚的生成。当烯烃和甘油的进料比例为4∶1,温度控制在453 K~573 K的范围内时,有利于单烷基甘油醚和二烷基甘油醚的生成。随着压力从0.1 MPa升高到0.8 MPa,生成的三烷基甘油醚的量越来越多。Glycerol can be etherified with olefins to synthesize alkyl glycerol ethers mixture.Based on Gibbs free energy global minimization,the innovative improved genetic algorithm was used for the thermodynamic equilibrium analysis and comparison on the synthesis processes of alkyl glycerol ethers from propene+glycerol,isobutene+glycerol in the manuscript.The effects of temperature(313 K-573 K)and pressure(0.1 MPa-0.8 MPa)on raw material conversions,product selectivities,and gas liquid phase equilibrium composition were investigated when the initial amount of substance ratio of olefin to glycerol was 4:1-8:1.Through thermodynamic calculation,it is found that when the feed amount of substance ratio of olefin and glycerol is 4:1 and the temperature is within the range of 313 K-453 K,the formation of trialkyl glycerol ether is favorable.When the feed ratio of olefin to glycerol is 4:1 and the temperature is in the range of 453 K-573 K,the formation of mono-alkyl glycerol ether and dialkyl glycerol ether is favorable.As the pressure increase from 0.1 MPa to 0.8 MPa,more and more trialkyl glycerol ether is produced.

关 键 词：热力学 甘油 烷基甘油醚 非均相 烯烃 

分 类 号：O642.4[理学—物理化学]