Mechanism analysis of solvent selectivity and energy-saving optimization in vapor recompression-assisted extractive distillation for separation of binary azeotrope

doi:10.1016/j.cjche.2021.06.010

中国化学工程学报 ›› 2022, Vol. 46 ›› Issue (6): 271-279.DOI: 10.1016/j.cjche.2021.06.010

Mechanism analysis of solvent selectivity and energy-saving optimization in vapor recompression-assisted extractive distillation for separation of binary azeotrope

Xiaomin Qiu¹, Yuanyuan Shen¹, Zhengkun Hou¹, Qi Wang¹, Zhaoyou Zhu¹, Yinglong Wang¹, Jingwei Yang¹, Jun Gao²

1 College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao 266042, China;
2 College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590, China

收稿日期:2021-04-30 修回日期:2021-06-03 出版日期:2022-06-28 发布日期:2022-07-20
通讯作者: Yinglong Wang,E-mail:wangyinglong@qust.edu.cn;Jingwei Yang,E-mail:jingwei0701@163.com
基金资助:
This work is supported by the National Natural Science Foundation of China (No. 21776145) and National Natural Science Foundation of China (No. 21676152).

Mechanism analysis of solvent selectivity and energy-saving optimization in vapor recompression-assisted extractive distillation for separation of binary azeotrope

Xiaomin Qiu¹, Yuanyuan Shen¹, Zhengkun Hou¹, Qi Wang¹, Zhaoyou Zhu¹, Yinglong Wang¹, Jingwei Yang¹, Jun Gao²

1 College of Chemical Engineering, Qingdao University of Science and Technology, Qingdao 266042, China;
2 College of Chemical and Environmental Engineering, Shandong University of Science and Technology, Qingdao 266590, China

Received:2021-04-30 Revised:2021-06-03 Online:2022-06-28 Published:2022-07-20
Contact: Yinglong Wang,E-mail:wangyinglong@qust.edu.cn;Jingwei Yang,E-mail:jingwei0701@163.com
Supported by:
This work is supported by the National Natural Science Foundation of China (No. 21776145) and National Natural Science Foundation of China (No. 21676152).

摘要/Abstract

摘要： Octane and p-xylene are common components in crude gasoline, so their separation process is very important in petroleum industry. The azeotrope and near azeotrope are often separated by extractive distillation in industry, which can realize the recovery and utilization of resources. In this work, the vapor–liquid equilibrium experiment was used to obtain the vapor–liquid equilibrium properties of the difficult separation system, and on this basis, the solvent extraction mechanism was studied. The mechanism of solvent separation plays a guiding role in selecting suitable solvents for industrial separation. The interaction energy, bond length and charge density distribution of p-xylene with solvent are calculated by quantum chemistry method. The quantum chemistry calculation results and experiment results showed that N-formylmorpholine is the best solvent among the alternative solvents in the work. This work provides an effective and complete solvent screening process from phase equilibrium experiments to quantum chemical calculation. An extractive distillation simulation process with N-formylmorpholine as solvent is designed to separate octane and p-xylene. In addition, the feasibility and effectiveness of the intensified vapor recompression assisted extraction distillation are also discussed. In the extractive distillation process, the vapor recompression-assisted extraction distillation process is globally optimal. Compared with basic process, the total annual cost can be reduced by 43.2%. This study provides theoretical guidance for extractive distillation separation technology and solvent selection.

关键词: Quantum chemical calculation, Vapor liquid equilibria, Distillation, Energy saving, Separation

Abstract: Octane and p-xylene are common components in crude gasoline, so their separation process is very important in petroleum industry. The azeotrope and near azeotrope are often separated by extractive distillation in industry, which can realize the recovery and utilization of resources. In this work, the vapor–liquid equilibrium experiment was used to obtain the vapor–liquid equilibrium properties of the difficult separation system, and on this basis, the solvent extraction mechanism was studied. The mechanism of solvent separation plays a guiding role in selecting suitable solvents for industrial separation. The interaction energy, bond length and charge density distribution of p-xylene with solvent are calculated by quantum chemistry method. The quantum chemistry calculation results and experiment results showed that N-formylmorpholine is the best solvent among the alternative solvents in the work. This work provides an effective and complete solvent screening process from phase equilibrium experiments to quantum chemical calculation. An extractive distillation simulation process with N-formylmorpholine as solvent is designed to separate octane and p-xylene. In addition, the feasibility and effectiveness of the intensified vapor recompression assisted extraction distillation are also discussed. In the extractive distillation process, the vapor recompression-assisted extraction distillation process is globally optimal. Compared with basic process, the total annual cost can be reduced by 43.2%. This study provides theoretical guidance for extractive distillation separation technology and solvent selection.

Key words: Quantum chemical calculation, Vapor liquid equilibria, Distillation, Energy saving, Separation

Xiaomin Qiu, Yuanyuan Shen, Zhengkun Hou, Qi Wang, Zhaoyou Zhu, Yinglong Wang, Jingwei Yang, Jun Gao. Mechanism analysis of solvent selectivity and energy-saving optimization in vapor recompression-assisted extractive distillation for separation of binary azeotrope[J]. 中国化学工程学报, 2022, 46(6): 271-279.

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Mechanism analysis of solvent selectivity and energy-saving optimization in vapor recompression-assisted extractive distillation for separation of binary azeotrope

Mechanism analysis of solvent selectivity and energy-saving optimization in vapor recompression-assisted extractive distillation for separation of binary azeotrope

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