萃取精馏隔壁塔分离正丁醇-苯-水的模拟与优化

Simulation and Optimization of Extractive Distillation Dividing Wall Column for Separating n-Butanol-Benzene-Water System

摘要

含正丁醇和苯的废水中存在多个共沸体系，为有效回收废水中的正丁醇和苯，将萃取精馏隔壁塔用于正丁醇-苯-水三元体系的分离，使用Aspen Plus软件对工艺过程进行模拟与优化。选用非随机双液体（NRTL）方程作为热力学模型，通过分析不同萃取剂对该共沸体系的汽液平衡关系及表面电荷密度的影响情况，优选出乙二醇作为萃取剂，实现了正丁醇-苯-水体系的分离，水、正丁醇和苯的纯度均达到99.9%；以年总费用（TAC）作为优化目标，采用序贯迭代方法对工艺流程进行优化，确定了最优工艺参数，优化后最小TAC为3.402×10⁶ 美元。研究结果可为隔壁塔精馏技术在三元共沸体系分离中的实际应用提供一定的理论指导。

Abstract

In wastewater containing n-butanol and benzene，multiple azeotropic systems exist.To recycle n-butanol and benzene from the wastewater，an extractive distillation dividing wall column was adopted to separate the n-butanol-benzene-water ternary system.The extractive distillation process was simulated and optimized using Aspen Plus software，with non-random two liquid （NRTL）equation as the thermodynamic model.By analyzing the effect of extractant on the vaporliquid equilibrium relationships and surface charge density for this azeotropic system，ethylene glycol is optimally selected as the extractant for the separation system.The separation of the n-butanol-benzenewater system with purities of water，n-butanol，and benzene all reach 99.9% .Then，with the total annual cost（TAC）as the optimization goal，the sequential iterative method was employed to optimize the process flow，and the optimal process parameters were determined.The optimized minimum TAC is 3.402×10⁶ dollars.The research results can provide theoretical guidance for the practical application of dividing wall column distillation technology in the separation of ternary azeotropic systems.

关键词

萃取精馏 / 隔壁塔 / 正丁醇-苯-水三元共沸体系 / 年总费用

Key words

extractive distillation / dividing wall column / n-butanol-benzene-water ternary azeotropic system / total annual cost

参考文献

[1] Jin C, Yao M F, Liu H F, et al. Progress in the production and application of n-butanol as a biofuel[J]. Renewable and Sustainable Energy Reviews, 2011, 15(8):4080-4106.

[2] 王子健, 李东璇, 刘烜辰, 等. 隔板精馏降苯工艺优化模拟[J]. 石化技术与应用, 2023, 41(2):113-117, 158.

[3] Wang Z J, Li D X, Liu X C, et al. Simulation on optimization of benzene reduction process by diaphragm distillation[J]. Petrochemical Technology & Application, 2023, 41(2):113-117,158. (in Chinese)

[4] Xu Z X, Wang Y Y, Li J L, et al. Multi-objective optimization and performance evaluation for the recovery of isopropanol and benzene from effluent via side-stream extractive distillation with intermediate reboiler processes[J]. Separation and Purification Technology, 2025, 358:130338.

[5] 叶启亮, 徐超洋, 王丽涛, 等. 隔壁精馏塔分离氯丙烯工艺模拟优化[J]. 化学工程, 2024, 52(10):52-57.

[6] Ye Q L, Xu C Y, Wang L T, et al. Simulation and optimization of separation of 3-chloropropene in dividing wall column[J]. Chemical Engineering(China), 2024, 52(10):52-57. (in Chinese)

[7] 龚超. 完全热耦合精馏塔的设计与模拟研究[D]. 天津: 天津大学, 2012.

[8] 叶青, 怸兆蓉, 施凤芹, 等. 用分隔壁精馏塔分离三组分混合物的节能研究[J]. 化学工程, 2007, 35(11):54-57.

[9] Ye Q, Qiu Z R, Shi F Q, et al. Study of energy-saving of separation ternary mixture with divided wall distillation column[J]. Chemical Engineering(China), 2007, 35(11):54-57. (in Chinese)

[10] 邵圣娟, 张云凤, 李晓红, 等. 隔壁萃取精馏塔不同等效模型分离异丁醇-乙酸异丁酯共沸物体系的模拟优化[J]. 石油化工, 2025, 54(7):929-936.

[11] Shao S J, Zhang Y F, Li X H, et al. Simulation and optimization of isobutanol-isobutyl acetate azeotrope separation with different equivalent models of extractive distillation dividing wall column[J]. Petrochemical Technology, 2025, 54(7): 929-936. (in Chinese)

[12] 刘澳琦, 李强, 石晓青, 等. 隔壁萃取精馏分离环己烷-环己烯过程的模拟与优化[J]. 石油炼制与化工, 2024, 55(5):135-140.

[13] Liu A Q, Li Q, Shi X Q, et al. Simulation and optimization of extractive dividing wall column for cyclohexane/cyclohexene separation[J]. Petroleum Processing and Petrochemicals, 2024, 55(5):135-140. (in Chinese)

[14] Huang J H, Zhang Q J, Liu C J, et al. Optimal design of the ternary azeotrope separation process assisted by reactive-extractive distillation for ethyl acetate/isopropanol/water[J]. Separation and Purification Technology, 2023, 306:122708.

[15] Pan C, Liu Y P, Hu Y F, et al. Heat integrated extractive coupled pressure-swing distillation with dividing wall column technology for separating phenol/pyridine from coal gasification wastewater[J]. Chemical Engineering Science, 2025, 304:121038.

[16] Labarta J A, Olaya M M, Marcilla A F. What does the NRTL model look like? Determination of boundaries for different fluid phase equilibrium regions[J]. AIChE Journal, 2022, 68 (10):e17805.

[17] Smith T E, Bonner R F. Vapor-liquid equilibrium still for partially miscible liquids[J]. Industrial & Engineering Chemistry, 1949, 41(12):2867-2871.

[18] Ma Z Y, Yao D, Zhao J G, et al. Efficient recovery of benzene and n-propanol from wastewater via vapor recompression assisted extractive distillation based on techno-economic and environmental analysis[J]. Process Safety and Environmental Protection, 2021, 148:462-472.

[19] Yerazunis S, Plowright J D, Smola F M. Vapor-liquid equilibrium determination by a new apparatus[J]. AIChE Journal, 1964, 10(5):660-665.

[20] Iqbal A, Ahmad S A. Pressure swing distillation of azeotropic mixture:a simulation study[J]. Perspectives in Science, 2016, 8:4-6.

[21] 李进龙, 袁本峰, 叶贞成. COSMO-SAC模型预测含丙三醇体系的汽液相平衡[J]. 计算机与应用化学, 2017, 34(3): 217-221.

[22] Li J L, Yuan B F, Ye Z C. Prediction of vapor-liquid phase equilibrium for binary mixture containing glycerol with COS-MO-SAC[J]. Computers and Applied Chemistry, 2017, 34 (3):217-221. (in Chinese)

[23] 戚律, 崔佳, 徐荣, 等. COSMO-SAC法筛选环戊烷/新己烷分离萃取剂及过程模拟[J]. 常州大学学报(自然科学版), 2021, 33(5):43-49.

[24] Qi L, Cui J, Xu R, et al. Solvents screening for extractive distillation of cyclopentane and neohexane based on COSMO-SAC model and process simulation[J]. Journal of Changzhou University(Natural Science Edition), 2021, 33(5):43-49. (in Chinese)

[25] 孙小情, 党明岩. 萃取精馏分离丙酮-正庚烷的模拟与优化[J]. 沈阳理工大学学报, 2023, 42(3):68-74.

[26] Sun X Q, Dang M Y. Simulation and optimization of extractive distillation for separation of acetone and n-heptane[J]. Journal of Shenyang Ligong University, 2023, 42 (3): 68-74. (in Chinese)

[27] 程晓鹏. 甲苯氧化制苯甲酸反应-分离循环全流程稳态序贯模拟的迭代求解与工艺优化[D]. 北京: 中国石油大学 (北京), 2021.

基金资助

辽宁省自然科学基金计划博士科研启动项目(2024-BS-111)

辽宁省教育厅高等学校基本科研项目(JYTQN2023043)

辽宁省教育厅高等学校基本科研项目(LJ212510144005)

辽宁省应用基础研究计划项目(2025JH2/101330020)