Dynamic simulation using Aspen chromatography for sequential simulated moving bed separation of coal-based mixed alcohols

doi:10.16085/j.issn.1000-6613.2024-0450

Abstract

Abstract:

The production capacity of coal to ethylene glycol in China is rapidly expanding, and the high-value utilization of by-product mixed alcohols has become a major demand. In the paper, a sequential simulated moving bed (SSMB) high-efficiency separation process was proposed for the separation and purification of mixed alcohols. In the process, the IPE-18 was selected as the adsorbent and the ethanol/water (volume ratio 1∶9) was used as the eluent. A 6-column SSMB model was constructed using Aspen chromatography software. A dynamic simulation study on the continuous chromatographic separation of ethylene glycol and 1,2-butanediol was conducted. Using the optimal operating point of "triangle theory" as the initial parameter, the influence of eluent flow rate and sub-step switching time on the product purity and production capacity were explored through a single factor optimization method, and hence the optimal operating parameters and the mechanisms of dynamic change of concentration distribution in columns were obtained. The results showed that under the optimal parameters, the purity and capacity of ethylene glycol reached 98.29% and 0.4303kg/d, respectively. The purity and capacity of 1,2-butanediol could reach 98.11% and 0.0972kg/d, respectively. Consequently, the efficient separation of ethylene glycol and 1,2-butanediol was achieved. Finally, an economic analysis was carried out for the overall process, and the product unit capacity of the 6-column SSMB was 1.07kg/d with the solvent consumption of 4.04. The results of this article would provide effective support for the industrial scale up of sequential simulated moving bed separation of coal-based mixed alcohols.

Key words: dynamic simulation, chromatography, separation, sequential simulated moving bed, ethylene glycol, 1,2-butanediol

摘要：

我国煤制乙二醇产能快速扩大，过程副产混合醇高值利用是重大需求。本文针对煤制乙二醇副产混合醇分离纯化难题，提出顺序式模拟移动床（SSMB）高效分离工艺。以IPE-18为吸附剂，乙醇/水（体积比1∶9）为洗脱剂，采用Aspen chromatography软件构建了6柱SSMB模型，开展了乙二醇和1,2-丁二醇连续色谱分离动态模拟研究。以三角形理论最佳操作点为初始参数，通过单因素考察优化方法，探索了洗脱液流量和子步骤切换时间对产品纯度及产能的影响规律，获得了最优操作参数和柱内浓度分布动态变化机制。结果显示，在最优参数下，乙二醇纯度和产能分别达到98.29%和0.4303kg/d；1,2-丁二醇纯度和产能分别达到98.11%和0.0972kg/d，实现了二者的高效分离。最后，针对整体工艺开展了技术经济性分析，6柱SSMB的产品单位处理量为1.07kg/d，溶剂消耗为4.04。本文结果将对SSMB分离煤基混合醇工业化放大提供有效支撑。

关键词: 动态仿真, 色谱, 分离, 顺序式模拟移动床, 乙二醇, 1,2-丁二醇

CLC Number:

TQ019

CAO Junya, SONG Shuzhe, HE Peng, WANG Liguo, ZHAO Xuefeng, CAO Yan, LI Huiquan. Dynamic simulation using Aspen chromatography for sequential simulated moving bed separation of coal-based mixed alcohols[J]. Chemical Industry and Engineering Progress, 2025, 44(3): 1228-1242.

曹俊雅, 宋恕哲, 贺鹏, 王利国, 赵雪锋, 曹妍, 李会泉. 顺序式模拟移动床分离煤基混合醇的Aspen色谱动态模拟[J]. 化工进展, 2025, 44(3): 1228-1242.

Figures/Tables 29

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组件	说明	模块
F&D	原料液、洗脱液进口	chrom_injection_feed
out	产品出口	chrom_product
column	色谱柱	chrom_r_column
pipelines	模型管路	chrom_material_connection
feed、desorbent	原料液、洗脱液进口	chrom_injection_feed
extract、raffinate	提取液、提余液出口	chrom_product
pump	循环泵	chrom_r_pump
B1、B2	流股分布器	chrom_outlet_select
B3、B4	流股汇集器	chrom_inlet_select
cycle_organizer	循环控制器	cycle_organizer

组件	说明	模块
F&D	原料液、洗脱液进口	chrom_injection_feed
out	产品出口	chrom_product
column	色谱柱	chrom_r_column
pipelines	模型管路	chrom_material_connection
feed、desorbent	原料液、洗脱液进口	chrom_injection_feed
extract、raffinate	提取液、提余液出口	chrom_product
pump	循环泵	chrom_r_pump
B1、B2	流股分布器	chrom_outlet_select
B3、B4	流股汇集器	chrom_inlet_select
cycle_organizer	循环控制器	cycle_organizer

参数	说明	数值
H_b	柱长	30.0cm
D_b	直径	1.5cm
E_i	颗粒间孔隙率	0.34
E_p	颗粒内孔隙率	0.68
R_p	颗粒半径	0.24mm

参数	说明	数值
H_b	柱长	30.0cm
D_b	直径	1.5cm
E_i	颗粒间孔隙率	0.34
E_p	颗粒内孔隙率	0.68
R_p	颗粒半径	0.24mm

参数	说明	数值
E_b（EG）	EG轴向扩散系数	0.90cm²/min
E_b（1,2-BDO）	1,2-BDO轴向扩散系数	0.39cm²/min
k_f（EG）	EG有效传质系数	0.21cm/min
k_f（1,2-BDO）	1,2-BDO有效传质系数	0.19cm/min
q_m（EG）	EG饱和吸附量	200.0g/L
q_m（1,2-BDO）	1,2-BDO饱和吸附量	480.0g/L
K_A（EG）	EG扩展的Langmuir 系数	0.003
K_B（1,2-BDO）	1,2-BDO扩展的Langmuir 系数	0.01