Abstract: Composition and component content of crude phenols from low temperature coal tar were analyzed by GC-MS, the main properties and multi-element interaction parameters of non-library components in crude phenols were estimated and evaluated by Aspen Properties software. Vacuum distillation processes of four columns combination were simulated and optimized by Aspen Plus software. The reliability of above optimization conditions was also verified. The results showed that 23 phenolic compounds were detected, which occupied 97.806% mass content in crude phenols. Compared with 89.436% of lower phenols, the content of higher phenols was very low, but they had more varieties. Estimation outcomes of non-library components in crude phenols would greatly satisfy the accuracy of numerical simulation. The optimal theoretical plate number and feeding location were 90, 80, 70, 60 and 55, 30, 39, 32, reflux ratio 15.52, 15.95, 15.87, 0.98 in phenol tower, o-cresol tower, p-cresol/m-cresol tower, dimethylphenol tower, respectively. The average mass purity and yield of top column products containing phenol, o-cresol, p-cresol/m-cresol and dimethylphenol could completely meet the demands of specified requirement after experimental verification.

Key words: low temperature coal tar, crude phenols, determination, estimation, simulation, optimization

摘要： 用气质联用仪分析低温煤焦油中粗酚的组成与含量，利用Aspen Properties软件估算并评价非库组分的主要物性和多元交互作用参数，借助Aspen Plus软件模拟优化四塔联用减压精馏过程，并对上述最佳操作条件的可靠性进行验证. 结果表明，粗酚共检出23种酚类化合物，占97.806%，低级酚含量较高，约为89.436%，高级酚种类多而含量低；非库组分的估算结果能满足后续模拟计算的准确度要求；精馏苯酚塔、邻甲基苯酚塔、对/间甲基苯酚塔、二甲基苯酚塔的最佳塔板数为90, 80, 70, 60，最佳进料口位置为55, 30, 39, 32，最佳回流比为15.52, 15.95, 15.87, 0.98；塔顶苯酚、邻甲基苯酚、对/间甲基苯酚和二甲基苯酚产品的平均纯度和收率均满足规定要求.

关键词: 低温煤焦油, 粗酚, 检测, 估算, 模拟, 优化