SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Yu Wang,Ruoyu Hu,Wenli Liu,Zhaoyou Zhu,Yinglong Wang,Jingwei Yang,Jianguang Qi,Peizhe Cui
In the process of producing low-carbon alcohols from coal, azeotropic waste containing ethanol and n-hexane is generated. To prevent environmental risks and resource waste from solvent loss, this study selected green solvent ionic liquids (ILs) for their separation. First, we screened five anions with high selectivity based on the conductor-like screening model for realistic solvents (COSMO-RS), and through various quantum chemical calculations, we found that the anions play a significant role in the separation of the two components, with [HSO 4 ] − showing the best separation performance. Second, we predicted the phase equilibrium data for ILs containing [HSO 4 ] − in the azeotropic system, considering practical factors such as price and viscosity, and selected [EMIM][HSO 4 ], [BMIM][HSO 4 ], and [HMIM][HSO 4 ] for experiments. The results indicated that simpler cation side chains enhance the separation capability of the system. Then, a toxicity analysis of the ILs ensured their biocompatibility and feasibility. Finally, we established the extraction distillation process and visualized the interactions between the ILs and the azeotropic system through molecular dynamics simulations. This work provides theoretical guidance for the separation of alcohols and alkanes in the industry.
研究领域:
化学工程
·
绿色溶剂
·
量子化学计算
·
分子动力学模拟
✓ 已验证
DOI
高影响因子
JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
·
2015
·Vol. 91
·期 4
·977-984
·
IF 2.349
Hong Li,Yiming Liu,Xin Gao,Xingang Li
Background Dehydration of biomass-based fermentation product is an essential process in the production of biofuels ethanol for industrial applications. Cassava starch, an adsorbent with high efficiency, can be fermented after saturating with water, which overcomes the shortcomings of high energy consumption bioethanol production. Therefore, the aim of the present study was to prepare cassava starch-based adsorbents with high adsorption efficiency that do not affect fermentative production. Results Porous cassava starch granules, which can be fermented to produce biofuel ethanol, were formed through the partial hydrolysis of starch using amylase and ultrasonication. The structural changes in cassava starch granules were also studied to prove that porous starch could be reused as feedstock for biomass-based fuel ethanol production after adsorption. Finally, an adsorption experiment proved that the modified cassava adsorbents had better absorptive properties than the native cassava. Conclusion These structural changes in cassava starch granules showed that porous starch is an efficient adsorbent that can be reused after adsorption as feedstock for fuel ethanol, which increases the energy efficiency of ethanol–water azeotrope separation. © 2015 Society of Chemical Industry
研究领域:
生物工程
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
ACS Sustainable Chemistry & Engineering
·
2021
·
IF 8.198
Xiaomin Qiu,Yajuan Qu,Mengjing Zhou,Yangyang Liu,Zhaoyou Zhu,Yinglong Wang,Jingwei Yang
Extractive distillation is often used to separate difficult separation systems so as to realize the recovery and utilization of resources in industry. Based on the separation of ethylene glycol (EG), isoamyl alcohol, and water, the separation of ternary azeotropic mixtures by extractive distillation was studied. The study of extraction mechanism is very important for solvent screening and molecular design. To compare the selectivity of solvents, the interaction energies between solvent–water, solvent–EG, and solvent–isoamyl alcohol were calculated by the quantum chemical method. Atoms in molecules, reduced density gradient, and electrostatic potential were used to study the microextraction mechanism of solvents in the water–EG–isoamyl alcohol system. In extractive distillation, vapor–liquid equilibrium (VLE) data is used as the basic data for designing and optimizing the process. In order to solve the problem of lack of VLE data between N,N-dimethylformamide, dimethyl sulfoxide, choline-based deep eutectic solvents, and azeotropes, the VLE experiment of the solvent and azeotrope system was carried out. In this work, the selectivity of different solvents was compared by the quantum chemical method, the microextraction mechanism of solvents was explored, and the lack of VLE experimental data was supplemented, which provided theoretical guidance for the selection and design of solvent molecules with excellent performance.
研究领域:
化学工程
·
分子科学
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Ziyang Cheng,Hao Sun,Yinghui Xu,Naixin Wang,Quan-Fu An
Pervaporation has emerged as a promising technology for the separation of methanol azeotropes. However, developing membrane material to enhance the separation performance remains crucial. In this study, aluminum fumarate (Al-fu) particles were successfully incorporated into polyvinyl alcohol (PVA) via in-situ growth method, creating mixed matrix membranes (MMMs) on a porous polyacrylonitrile substrate. These Al-fu MMMs were then used for the separation of the methanol azeotropes. Compared to pure PVA membranes, the Al-fu MMMs exhibited a significant increase in both the separation factor and flux when separating a 20/80 wt% methanol/dimethyl carbonate mixture at 40 °C. The separation factor increased from 9.2 to 13.2, while the flux increased from 376.8 g·m −2 ·h −1 to 928.2 g·m −2 ·h −1 . This enhancement can be attributed to the synergetic effects of size sieving through the pore windows and preferential adsorption of polar solvent molecules by the Al-fu MMMs. Furthermore, the low cost of both Al-fu and PVA, coupled with the facile membrane preparation process, renders this strategy economically viable and practical. Consequently, this approach offers a promising avenue for the development of efficient pervaporation membranes for the separation of azeotropic mixtures.
研究领域:
化学工程
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
Processes
·
2025
·Vol. 13
·期 5
·1435
·
IF 2.8
Zhongfeng Geng,Yunfei Bai,Ke Zhang,Feng Shi
2-Methyl-2-cyclopentenone (MCP) is the main by-product of the newly developed heterogeneous catalysis process for producing crotonaldehyde, which serves as an important intermediate for drug synthesis. However, how to recover and purify MCP from the product mixture is not known. To decipher this, a computer-aided process based on the measured phase-equilibrium data was developed. The improved Rose–Williams equilibrium kettle was used to measure the vapor–liquid equilibrium data for MCP–crotonaldehyde and MCP–water. Surprisingly, MCP and water formed a minimum azeotrope, which aided its own recovery from its dilute solution. The mole fraction of MCP in the azeotrope was 9.1%, the mole fraction of water was 90.9%, and the azeotropic temperature was 96.8 °C. Equilibrium data from the two binary systems were correlated using the Wilson and NRTL activity coefficient models. The NRTL-RK model was selected to simulate the process for recovering and purifying MCP. A two-column process was developed and optimized in this study, and the aim of effectively utilizing the by-product MCP was achieved with this process.
研究领域:
化学工程
·
药物合成
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2025
·
IF 2.1
Yuanxin Zhao
Isobutanol is a promising biofuel that can be produced via fermentation. However, its separation from water is challenging due to the formation of an azeotrope during distillation. This study investigates the effects of K3PO4 concentration and temperature on the phase separation of isobutanol–water azeotropes. Results show that increasing salt concentration significantly enhances isobutanol recovery and dehydration efficiency, while temperature has a relatively minor effect. Isobutanol recovery exceeded 99.9% and dehydration ratios surpassed 90% at higher salt concentrations, with minimal influence from temperature. The water content in the isobutanol-rich phase decreases sharply with salt addition, and the solubility of isobutanol in the aqueous phase shows a strong logarithmic decline. A good linear fit (R2 > 0.997) confirms the reliability of the correlation. These findings demonstrate that salting-out using K3PO4 is a highly effective strategy for improving the separation of fermentation-based isobutanol.
研究领域:
生物化工
·
分离科学
·
生物能源
·
工业微生物学
·
过程工程
✓ 已验证
产品关联
DOI
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
·
2021
·
IF 3.171
Xiaomin Qiu,Yuanyuan Shen,Zhengkun Hou,Qi Wang,Zhaoyou Zhu,Yinglong Wang,Jingwei Yang,Jun Gao
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.
研究领域:
化工分离技术
·
石油工业
·
化学工程
✓ 已验证
DOI
高影响因子
AICHE JOURNAL
·
2025
·
IF 4
Yulin Li,Qian Liu,Ke Wang,Kunchi Xie,Xiangyi Kong,Zhen Song,Zhiwen Qi,Hongye Cheng
Efficient separation of high water-content azeotropes such as 1-methoxy-2-propanol (PGME) and water is crucial but challenging. Herein, a green and low-energy hybrid extraction-distillation process was developed using dibutyl oxalate (DBO) as the extractant. Experimental evaluations revealed the superior performance of DBO with high selectivity and minimal solvent loss at various PGME concentrations. Mechanistic studies via molecular simulations and FT-IR analyses demonstrated that hydrogen bonding between the carbonyl group of DBO and the hydroxyl group of PGME drives the selective extraction. Process simulation indicated a 37.0% reduction in solvent circulation, 52.6% in energy consumption, and 57.9% in carbon footprint compared to conventional benzene-based azeotropic distillation. Life cycle assessment further confirmed the environmental benefits of DBO, highlighting its low toxicity, biodegradability, and renewable synthesis potential. This work presents a sustainable and cost-effective strategy not only for PGME-water separation but also for other high water-content azeotropes separation.
研究领域:
化学工程
·
分离技术
·
绿色化学
·
工艺创新
·
环境科学
✓ 已验证
产品关联
DOI
高影响因子
CHEMICAL ENGINEERING SCIENCE
·
2025
·
IF 4.3
Jiqing Rao,Xin Tian,Yuze Sun,Honghai Wang,Rui Wang,Chunli Li,Jiapeng Liu
2-methyltetrahydrofuran (2-MeTHF) and acetonitrile (ACN) are widely used as solvents in the pharmaceutical industry. As 2-MeTHF and ACN form azeotrope that cannot be separated via regular distillation. Therefore, in this study, the molecular mechanism, experiment-based extractant screening, and process design for the separation of the 2-MeTHF-ACN azeotrope were investigated. According to Fourier-transform infrared spectroscopy and density functional theory, the azeotropy was destroyed via the formation of hydrogen bonds between the extractant dimethyl sulfoxide, 2-MeTHF, and ACN. Vapor–liquid phase equilibrium experiments validated the screening results and develop a thermodynamic model of the binary system. Batch distillation experiments obtained 2-MeTHF with a mass purity of 99.6 wt% and ACN with a mass purity of 99.8 wt%. The ED process was designed using Aspen Plus and improved via the integration of the recovered waste heat (ED-HI). A sequential iterative approach was used to minimize the total annual cost (TAC). The ED-HI process resulted in reductions in the TAC, reboiler heat load, and CO 2 emissions of 20.06 %, 25.77 %, and 22.77 %, respectively, compared to those of the ED process. This study provides valuable insight into the effective separation of 2-MeTHF and ACN.
研究领域:
化学工程
·
分离技术
·
物理化学
·
工艺设计
·
制药工业
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Yunfei Song,Yuezhan Du,Ruyue Wang,Hongze Yan,Fei Luo,Lanyi Sun
Ethyl propionate is usually produced from esterification of propionic acid and ethanol in the industry. However, the purification of ethyl propionate remains a challenge because the unreacted ethanol forms an azeotrope with ethyl propionate. In this work, extractive distillation was adopted, and isobutyl acetate was chosen as the entrainer to separate the mixture of ethanol and ethyl propionate. The vapor–liquid equilibria for binary systems of ethanol/ethyl propionate + isobutyl acetate were measured at atmospheric pressure, and the experiment data were correlated with the nonrandom two-liquid model, universal quasi-chemical model, and Wilson model. Then, the thermodynamic analyses, using residue curves, isovolatility curves, and extractive composition profile of the ethanol + ethyl propionate + isobutyl acetate ternary system, were performed to confirm the feasibility of separating the azeotrope with isobutyl acetate as the entrainer. The extractive distillation process was designed and optimized by the sequential iterative procedure based on the total annual cost. Results of the extractive distillation simulation also verified the reliability of thermodynamic analysis.
研究领域:
化学工程
·
热力学
·
分离过程
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2022
·
IF 9.136
Jianguang Qi,Yajuan Qu,Mengjin Zhou,Zihao Su,Xiaoying Zhang,Ranran Wei,Ke Xue,Zhaoyou Zhu,Fanqing Meng,Yinglong Wang
Deep eutectic solvents (DESs) exhibit good separation performance as extractants in extractive distillation. In this study, choline chloride (ChCl)-based and tetrabutylammonium bromide (TBAB)-based DESs were prepared using ChCl and TBAB as hydrogen bond acceptors (HBAs) and urea, glycerol (G), malonic acid (MA), and levulinic acid (LA) as hydrogen bond donors (HBDs). Based on the COSMO-SAC model, the possibility of separating the binary azeotropes of methanol (MeOH) and dimethyl carbonate (DMC) using five DESs was verified. The binary azeotropes of MeOH and DMC were separated by extractive distillation using five DESs, and their separation performance was investigated. The experimental results revealed that ChCl-urea had the best separation effect on the binary azeotropes MeOH and DMC. The macroscopic separation phenomenon and microscopic molecular mechanisms were studied systematically. The interaction of the DESs with MeOH and DMC was investigated at the molecular level by quantum chemical (QC) calculations, and the important role of the hydrogen bond of the DESs in extractive distillation was revealed. The experimental and QC results demonstrate that DESs have a significant effect on the intermolecular forces and can effectively separate azeotropes.
研究领域:
化学工程
·
物理化学
·
分离科学
✓ 已验证
产品关联
DOI
高影响因子
SEPARATION AND PURIFICATION TECHNOLOGY
·
2024
·
IF 8.1
Yi Guo,Rui Wang,Chang Shu,Hong Li,Xin Gao
Reactive distillation (RD) can be effectively used to improve the selectivity of the intermediate product for complex multi-reaction schemes, which involves using distillation to manipulate the column profiles in the RD column (RDC) to attribute the desired reaction and the manipulating reactions to facilitate separation. As the demand for ethyl methyl carbonate (EMC) has increased significantly due to its structural characteristics, the selective synthesis of EMC from the consecutive transesterification of dimethyl carbonate (DMC) and ethanol (EtOH) in the presence of azeotropes between reactants and products was studied as featured reaction schemes. The basic resin catalyst KC161 is utilized to build the kinetic reaction model and supplement the primary data for the process design. The pilot-scale RD experiments are explored to verify the feasibility and the reliability of the model. The impact of critical operation and structure parameters on the conversion and selectivity of the reaction and the azeotropes formed in the system were analyzed. A hybrid distillation process containing an RDC, pressure-swing distillation columns, and a regular distillation column, was designed and optimized based on minimized total annual cost (TAC) using a sequential iterative algorithm. 0. 9997 (mole purity) EMC and 0. 9999 (mole purity) diethyl carbonate (DEC) were obtained with EMC selectivity up to 0.863%.
研究领域:
化学工程
·
工艺化学
·
工业化学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）