UNIFAC模型在草酸二乙酯合成体系中的应用  

Application of UNIFAC Model in Diethyl Oxalate Synthesis System

作　　者：刘洪皋[1] 刘家祺[1] 李俊台 

机构地区：[1]天津大学化工系,天津300072

出　　处：《高校化学工程学报》1998年第2期113-117,共5页Journal of Chemical Engineering of Chinese Universities

摘　　要：利用原始UNIFAC模型对CO气相催化偶联合成草酸二乙酯产物中的各组分进行了基团划分，用实验测定的二元物系等温汽液平衡数据，关联了CH2O／HCOO基团相互作用参数，汽液平衡计算值与实验值比较偏差较大。为提高推算精度，对碳酸二乙酯进行新的基团划分，提出了UNIFAC新基团OCOO，重新关联了基团相互作用参数并进行了汽液平衡推算，结果令人满意。By using original UNIFAC method four groups are distinguished in the system of the preparation of diethyl oxalate by vapor phase catalytic coupling reaction of CO. The interaction parameters of CH2O/HCOO have been fitted by using the experimental vapor-liquid equilibrium data atconstant temperature from three binary systems. Based on new parameters, the vapor-liquid equilibri-um of binary systems have been calculated by UNIFAC model. To improve the accuracy of predictiona new functional group-OCOO was proposed and applied to diethyl carbonate again. The new interac-tion parameters have been fitted and the vapor-liquid equilibrium data have been calculated, the resultsobtained are satis factory.

关 键 词：UNIFAC 碳酸二乙酯 草酸二乙酯 合成 汽液平衡 

分 类 号：TQ225.242[化学工程—有机化工]