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Design and optimization of reactive distillation: a review

《化学科学与工程前沿（英文）》 2022年 第16卷 第6期   页码 799-818 doi: 10.1007/s11705-021-2128-9

摘要： Reactive distillation process, a representative process intensification technology, has been widely applied in the chemical industry. However, due to the strong interaction between reaction and separation, the extension of reactive distillation technology is restricted by the difficulties in process analysis and design. To overcome this problem, the design and optimization of reactive distillation have been widely studied and illustrated for plenty of reactive mixtures over the past three decades. These design and optimization methods of the reactive distillation process are classified into three categories: graphical, optimization-based, and evolutionary/heuristic methods. The primary objective of this article is to provide an up-to-date review of the existing design and optimization methods. Desired and output information, advantages and limitations of each method are stated, the modification and development for original methodologies are also reviewed. Perspectives on future research on the design and optimization of reactive distillation method are proposed for further research.

关键词： reactive distillation     process intensification     design method     reactive phase diagram     optimization algorithm    

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Novel eco-efficient reactive distillation process for dimethyl carbonate production by indirect alcoholysis

Iulian Patraşcu, Costin S. Bîldea, Anton A. Kiss

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 316-331 doi: 10.1007/s11705-021-2047-9

摘要： Dimethyl carbonate is an eco-friendly essential chemical that can be sustainably produced from CO , which is available from carbon capture activities or can even be captured from the air. The rapid increase in dimethyl carbonate demand is driven by the fast growth of polycarbonates, solvent, pharmaceutical, and lithium-ion battery industries. Dimethyl carbonate can be produced from CO through various chemical pathways, but the most convenient route reported is the indirect alcoholysis of urea. Previous research used techniques such as heat integration and reactive distillation to reduce the energy use and costs, but the use of an excess of methanol in the trans-esterification step led to an energy intensive extractive distillation required to break the dimethyl carbonate-methanol azeotrope. This work shows that the production of dimethyl carbonate by indirect alcoholysis of urea can be improved by using an excess of propylene carbonate (instead of an excess of methanol), a neat feat that we showed it requires only 2.64 kW·h·kg dimethyl carbonate in a reaction-separation-recycle process, and a reactive distillation column that effectively replaces two conventional distillation columns and the reactor for dimethyl carbonate synthesis. Therefore, less equipment is required, the methanol-dimethyl carbonate azeotrope does not need to be recycled, and the overall savings are higher. Moreover, we propose the use of a reactive distillation column in a heat integrated process to obtain high purity dimethyl carbonate (>99.8 wt-%). The energy requirement is reduced by heat integration to just 1.25 kW·h·kg dimethyl carbonate, which is about 52% lower than the reaction-separation-recycle process. To benefit from the energy savings, the dynamics and control of the process are provided for ±10% changes in the nominal rate of 32 ktpy dimethyl carbonate, and for uncertainties in reaction kinetics.

关键词： dimethyl carbonate     reactive distillation     process design     plantwide control    

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A novel method for generating distillation configurations

Hongzhe Hou, Yiqing Luo

《化学科学与工程前沿（英文）》 2020年 第14卷 第5期   页码 834-846 doi: 10.1007/s11705-019-1855-7

摘要： An improved matrix method for generating distillation configurations with ( −1) and less than ( −1) columns was proposed for the separation of an -component mixture into essentially pure product streams based on the concepts of streams matrix and 0–1 matrixes proposed by Agrawal. In contrast with the matrix method developed by Agrawal, the present method removes the intermediate process centered on the splits, and complex column configurations, allowing the direct generation of multi-feeds and multi-product streams. Furthermore, certain configurations that cannot be generated directly and that are missing in the matrix method are obtained. Through rigorous simulations and optimization, we have demonstrated that these configurations have the potential to outperform certain existing configurations.

关键词： non-sharp separation     multicomponent distillation     distillation configurations    

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化学链概念在共沸物分离中的应用 Article

高鑫, 耿雪丽

《工程（英文）》 2021年 第7卷 第1期   页码 84-93 doi: 10.1016/j.eng.2020.06.022

摘要：

为了生产高端化学品和资源回收而进行共沸物分离的必要性，促使人们对化学工业中新分离方法的开发进行了大量研究。本文基于化学链的概念，借助可逆反应辅助精馏技术，提出了一种绿色可持续的共沸物分离方法。化学链分离（CLS）方法的核心概念是选择一种既能与共沸物发生反应，又能通过逆反应进行循环利用的反应物，以闭合回路并实现共沸物分离。本文旨在从分离原理、反应物选择和案例分析（如烯烃、烷烃、芳烃和多元醇产品的分离）等的基础上，为CLS方法的基本理论和应用提供一个有益的见解。本文为产品精制和共沸体系分离过程中的化学分离工艺的过程的强化提供指导和参考，以促进化工行业的可持续发展。

关键词： 化学链     共沸物     反应精馏     反应物选择     过程强化    

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A review on membrane distillation in process engineering: design and exergy equations, materials and

《化学科学与工程前沿（英文）》 2022年 第16卷 第5期   页码 592-613 doi: 10.1007/s11705-021-2105-3

摘要： One of the problems that most afflicts humanity is the lack of clean water. Water stress, which is the pressure on the quantity and quality of water resources, exists in many places throughout the World. Desalination represents a valid solution to the scarcity of fresh water and several technologies are already well applied and successful (such as reverse osmosis), producing about 100 million m3·d−1 of fresh water. Further advances in the field of desalination can be provided by innovative processes such as membrane distillation. The latter is of particular interest for the treatment of waste currents from conventional desalination processes (for example the retentate of reverse osmosis) as it allows to desalt highly concentrated currents as it is not limited by concentration polarization phenomena. New perspectives have enhanced research activities and allowed a deeper understanding of mass and heat transport phenomena, membrane wetting, polarization phenomena and have encouraged the use of materials particularly suitable for membrane distillation applications. This work summarizes recent developments in the field of membrane distillation, studies for module length optimization, commercial membrane modules developed, recent patents and advancement of membrane material.

关键词： membrane distillation     recent developments     heat and mass transfer     wetting     membrane material    

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The use of carbon nanomaterials in membrane distillation membranes: a review

Sebastian Leaper, Ahmed Abdel-Karim, Patricia Gorgojo

《化学科学与工程前沿（英文）》 2021年 第15卷 第4期   页码 755-774 doi: 10.1007/s11705-020-1993-y

摘要： Membrane distillation (MD) is a thermal-based separation technique with the potential to treat a wide range of water types for various applications and industries. Certain challenges remain however, which prevent it from becoming commercially widespread including moderate permeate flux, decline in separation performance over time due to pore wetting and high thermal energy requirements. Nevertheless, its attractive characteristics such as high rejection (ca. 100%) of non-volatile species, its ability to treat highly saline solutions under low operating pressures (typically atmospheric) as well as its ability to operate at low temperatures, enabling waste-heat integration, continue to drive research interests globally. Of particular interest is the class of carbon-based nanomaterials which includes graphene and carbon nanotubes, whose wide range of properties have been exploited in an attempt to overcome the technical challenges that MD faces. These low dimensional materials exhibit properties such as high specific surface area, high strength, tuneable hydrophobicity, enhanced vapour transport, high thermal and electrical conductivity and others. Their use in MD has resulted in improved membrane performance characteristics like increased permeability and reduced fouling propensity. They have also enabled novel membrane capabilities such as fouling detection and localised heat generation. In this review we provide a brief introduction to MD and describe key membrane characteristics and fabrication methods. We then give an account of the various uses of carbon nanomaterials for MD applications, focussing on polymeric membrane systems. Future research directions based on the findings are also suggested.

关键词： carbon nanomaterials     graphene     membrane distillation     desalination     carbon nanotubes    

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Methyl acetate–methanol mixture separation by extractive distillation: Economic aspects

Elena Graczová, Branislav Šulgan, Samuel Barabas, Pavol Steltenpohl

《化学科学与工程前沿（英文）》 2018年 第12卷 第4期   页码 670-682 doi: 10.1007/s11705-018-1769-9

摘要：

Methyl acetate is considered low toxicity volatile solvent produced either as a by-product during methanol carbonylation or via acetic acid esterification with methanol. In both cases, pure methyl acetate has to be isolated from the reaction mixture. Simulation of methyl acetate separation from its mixture with methanol by extraction distillation was carried out in ASPEN+ software. In total three case studies were assumed using two different extraction solvents and two solvent regeneration strategies. In case A, novel extraction solvent 1-ethyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid, was considered. Raw material separation was achieved in an extraction distillation column while the solvent regeneration was accomplished in a second distillation column in this case. In case study B, the same extraction solvent was used; however, its regeneration was carried out in a single-effect evaporator. Dimethyl sulfoxide was the second extraction solvent selected. Its use in methyl acetate-methanol separation is presented in case study C. As high purity of dimethyl sulfoxide was required for the methyl acetate-methanol azeotrope breaking, its regeneration was carried out in the second distillation column only. To simulate the ternary methyl acetate–methanol–extraction solvent mixtures separation, vapor–liquid equilibrium was predicted based on the NRTL equation. Further, unknown properties of the considered ionic liquid and variation of these properties with temperature were predicted and introduced into the ASPEN+ components properties database. Based on these data, optimum operation parameters of the respective separation equipment were established. In all case studies, the same condition had to be fulfilled, namely minimum methyl acetate content in the distillate from the extraction distillation column of 99.5mol-%. Results of simulations using the respective optimum operation parameters were employed in the economic evaluation of the three separation unit designs studied. It was found that the least energy-demanding design corresponds to the case study B in terms of both capital as well as operation expenses.

关键词： methyl acetate     1-ethyl-3-methylimidazolium trifluoromethanesulfonate     extraction distillation     dimethyl sulfoxide     economic evaluation    

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CFD simulation on membrane distillation of NaCl solution

Zhaoguang XU, Yanqiu PAN, Yalan YU

《化学科学与工程前沿（英文）》 2009年 第3卷 第3期   页码 293-297 doi: 10.1007/s11705-009-0204-7

摘要： A computational fluid dynamics (CFD) simulation that coupled an established heat and mass transfer model was carried out for the air-gap membrane distillation (AGMD) of NaCl solution to predict mass and heat behaviors of the process. The effects of temperature and flowrate on fluxes were first simulated and compared with available experimental data to verify the approach. The profiles of temperature, temperature polarization factor, and mass flux adjacent to the tubular carbon membrane surface were then examined under different feed Reynolds number in the computational domain. Results show that the temperature polarization phenomena can be reduced, and mass flux can be enhanced with increase in the feed Reynolds number.

关键词： membrane distillation     computational fluid dynamics (CFD) simulation     temperature polarization     carbon membrane    

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Systematic screening procedure and innovative energy-saving design for ionic liquid-based extractive distillation

《化学科学与工程前沿（英文）》 2023年 第17卷 第1期   页码 34-45 doi: 10.1007/s11705-022-2234-3

摘要： In the traditional extractive distillation process, organic solvents are often used as entrainers. However, environmental influence and high energy-consumption are significant problems in industrial application. In this study, a systematic screening strategy and innovative energy-saving design for ionic liquid-based extractive distillation process was proposed. The innovative energy-saving design focused on the binary minimum azeotrope mixtures isopropanol and water. Miscibility, environmental impact and physical properties (e.g., melting point and viscosity) of 30 ionic liquids were investigated. 1-Ethyl-3-methyl-imidazolium dicyanamide and 1-butyl-3-methyl-imidazolium dicyanamide were selected as candidate entrainers. Feasibility analysis of these two ionic liquids was further performed via residue curve maps, isovolatility line and temperature profiles. An innovative ionic liquid-based extractive distillation process combining distillation column and stripping column was designed and optimized with the objective function of minimizing the total annualized cost. The results demonstrate that the total annualized cost was reduced by 19.9% with 1-ethyl-3-methyl-imidazolium dicyanamide as the entrainer and by 24.3% with 1-butyl-3-methyl-imidazolium dicyanamide, compared with that of dimethyl sulfoxide. The method proposed in this study is conducive to the green and sustainable development of extractive distillation process.

关键词： ionic liquid     entrainer screening     feasibility analysis     extractive distillation    

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Progress in membrane distillation crystallization: Process models, crystallization control and innovative

Xiaobin Jiang, Linghan Tuo, Dapeng Lu, Baohong Hou, Wei Chen, Gaohong He

《化学科学与工程前沿（英文）》 2017年 第11卷 第4期   页码 647-662 doi: 10.1007/s11705-017-1649-8

摘要： Membrane distillation crystallization (MDC) is a promising hybrid separation process that has been applied to seawater desalination, brine treatment and wastewater recovery. In recent years, great progress has been made in MDC technologies including the promotion of nucleation and better control of crystallization and crystal size distribution. These advances are useful for the accurate control of the degree of supersaturation and for the control of the nucleation kinetic processes. This review focuses on the development of MDC process models and on crystallization control strategies. In addition, the most important innovative applications of MDC in the last five years in crystal engineering and pharmaceutical manufacturing are summarized.

关键词： membrane distillation crystallization     mathematics model     nucleation     separation     hybrid process    

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Passive convergence-permeable reactive barrier (PC-PRB): An effective configuration to enhance hydraulic

《环境科学与工程前沿（英文）》 2022年 第16卷 第12期 doi: 10.1007/s11783-022-1591-y

摘要：

● A novel PRB configuration based on passive convergent flow effect was proposed.

关键词： Passive convergence-permeable reactive barrier (PC-PRB)     Permeable reactive barrier configuration     Numerical simulation     Hydraulic performance evaluation     Sensitivity analysis    

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Combining extractive heterogeneous-azeotropic distillation and hydrophilic pervaporation for enhanced

Eniko Haaz, Botond Szilagyi, Daniel Fozer, Andras Jozsef Toth

《化学科学与工程前沿（英文）》 2020年 第14卷 第5期   页码 913-927 doi: 10.1007/s11705-019-1877-1

摘要： The separation of non-ideal mixtures using distillation can be an extremely complex process and there continues to be a need to further improve these techniques. A new method which combines extractive heterogeneous-azeotropic distillation (EHAD) and hydrophilic pervaporation (HPV) for the separation of non-ideal ternary mixtures is demonstrated. This improved distillation method combines the benefits of heterogeneous-azeotropic and extractive distillations in one column but no added materials are needed as is usually the case with pervaporation. The separation of water-methanol-ethyl acetate and water-methanol-isopropyl acetate mixtures were investigated to demonstrate the accuracy of the combined EHAD/HPV technique. There is not currently an established treatment strategy for the separation of the second mixtures in the literature. These separation processes were rigorously modelled and optimized using a professional flowsheet. The objective functions were total cost and energy consumption and heat integration was also investigated. The verification of the process modelling was carried out using laboratory-scale measurements. Extractive heterogeneous-distillation combined with methanol dehydration was found to be more efficient than conventional distillation for the separation of these highly non-ideal mixtures.

关键词： hydrophilic pervaporation     non-ideal mixture     modelling     extractive heterogeneous-azeotropic distillation     heat integration    

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Exergy analysis of multi-stage crude distillation units

Xingang LI, Canwei LIN, Lei WANG, Hong LI

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 437-446 doi: 10.1007/s11705-013-1349-y

摘要： This paper aims to investigate the multi-stage effect on crude distillation units (CDUs) in thermodynamics. In this regard, we proposed three-, four-, five-, and six-stage CDU processes with all variables constrained to be almost the same except for the number of stages. We also analyzed the energy and exergy to assess the energy consumed by each process. Because additional distillation units would share the processing load and thus prevent products with low boiling points from overheating, the heat demand of the CDUs decreases with increasing stages and thus reduces the heat supply. Exergy loss is considered as a key parameter to assess these processes. When the exergy losses in heat exchangers are disregarded, the three- and four-stage CDUs have lower exergy losses than the five- and six-stage CDUs. When the overall exergy losses are considered, the optimum number of stages of CDUs depends on the exergy efficiency of heat integration.

关键词： exergy     exergy loss     crude oil distillation     multi-stage     energy saving    

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Determination of a suitable index for a solvent via two-column extractive distillation using a heuristic

Zhaoyou Zhu, Guoxuan Li, Yao Dai, Peizhe Cui, Dongmei Xu, Yinglong Wang

《化学科学与工程前沿（英文）》 2020年 第14卷 第5期   页码 824-833 doi: 10.1007/s11705-019-1867-3

摘要： The traditional approach to solvent selection in the extractive distillation process strictly focuses on the change in the relative volatility of light-heavy components induced by the solvent. However, the total annual cost of the process may not be minimal when the solvent induces the largest change in relative volatility. This work presents a heuristic method for selecting the optimal solvent to minimize the total annual cost. The functional relationship between the relative volatility and the total annual cost is established, where the main factors, such as the relative volatility of the light-heavy components and the relative volatility of the heavy-component solvent, are taken into account. Binary azeotropic mixtures of methanol-toluene and methanol-acetone are separated to verify the feasibility of the model. The results show that using the solvent with the minimal two-column extractive distillation index, the process achieves a minimal total annual cost. The method is conducive for sustainable advancements in chemistry and engineering because a suitable solvent can be selected without simulation verification.

关键词： heuristic method     solvent selection     extractive distillation     total annual cost    

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Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation

Ao Yang, Yang Su, Tao Shi, Jingzheng Ren, Weifeng Shen, Teng Zhou

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 303-315 doi: 10.1007/s11705-021-2044-z

摘要： An energy-efficient triple-column extractive distillation process is developed for recovering tetrahydrofuran and ethyl acetate from industrial effluent. The process development follows a rigorous hierarchical design procedure that involves entrainer design, thermodynamic analysis, process design and optimization, and heat integration. The computer-aided molecular design method is firstly used to find promising entrainer candidates and the best one is determined via rigorous thermodynamic analysis. Subsequently, the direct and indirect triple-column extractive distillation processes are proposed in the conceptual design step. These two extractive distillation processes are then optimized by employing an improved genetic algorithm. Finally, heat integration is performed to further reduce the process energy consumption. The results indicate that the indirect extractive distillation process with heat integration shows the highest performance in terms of the process economics.

关键词： extractive distillation     solvent selection     conceptual design     process optimization     heat integration    

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标题 作者 时间 类型 操作

Design and optimization of reactive distillation: a review

期刊论文

Novel eco-efficient reactive distillation process for dimethyl carbonate production by indirect alcoholysis

Iulian Patraşcu, Costin S. Bîldea, Anton A. Kiss

期刊论文

A novel method for generating distillation configurations

Hongzhe Hou, Yiqing Luo

期刊论文

化学链概念在共沸物分离中的应用

高鑫, 耿雪丽

期刊论文

A review on membrane distillation in process engineering: design and exergy equations, materials and

期刊论文

The use of carbon nanomaterials in membrane distillation membranes: a review

Sebastian Leaper, Ahmed Abdel-Karim, Patricia Gorgojo

期刊论文

Methyl acetate–methanol mixture separation by extractive distillation: Economic aspects

Elena Graczová, Branislav Šulgan, Samuel Barabas, Pavol Steltenpohl

期刊论文

CFD simulation on membrane distillation of NaCl solution

Zhaoguang XU, Yanqiu PAN, Yalan YU

期刊论文

Systematic screening procedure and innovative energy-saving design for ionic liquid-based extractive distillation

期刊论文

Progress in membrane distillation crystallization: Process models, crystallization control and innovative

Xiaobin Jiang, Linghan Tuo, Dapeng Lu, Baohong Hou, Wei Chen, Gaohong He

期刊论文

Passive convergence-permeable reactive barrier (PC-PRB): An effective configuration to enhance hydraulic

期刊论文

Combining extractive heterogeneous-azeotropic distillation and hydrophilic pervaporation for enhanced

Eniko Haaz, Botond Szilagyi, Daniel Fozer, Andras Jozsef Toth

期刊论文

Exergy analysis of multi-stage crude distillation units

Xingang LI, Canwei LIN, Lei WANG, Hong LI

期刊论文

Determination of a suitable index for a solvent via two-column extractive distillation using a heuristic

Zhaoyou Zhu, Guoxuan Li, Yao Dai, Peizhe Cui, Dongmei Xu, Yinglong Wang

期刊论文

Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation

Ao Yang, Yang Su, Tao Shi, Jingzheng Ren, Weifeng Shen, Teng Zhou

期刊论文