Barlev R. Nagawkar, Alberto Passalacqua, Shankar Subramaniam
Mixing can vary based on the scale at which the system is observed, and a mixing index that can capture the features at different length scales is desirable. In this article, we analyze the scale dependence of the mixing indices developed for Eulerian multiphase models. Relevant length scales are distinguished by filtering solid fraction fields. The scale‐dependence study is first done on manufactured fields of solid fraction to assess the performance of the mixing indices. The study is extended to a two‐dimensional CFD simulation of the segregation of a bidisperse gas–solid mixture. The local mixing index performs well in capturing the spatial variation of mixing at different scales. The scale dependence of two global mixing indices is considered in the study, where the state of mixing is defined based on statistical measures. We demonstrate that the choice of measures influences the sensitivity of mixing indices to mixing at different scales.
{"title":"A study on the scale dependence of mixing indices for Eulerian multiphase models","authors":"Barlev R. Nagawkar, Alberto Passalacqua, Shankar Subramaniam","doi":"10.1002/aic.18589","DOIUrl":"https://doi.org/10.1002/aic.18589","url":null,"abstract":"Mixing can vary based on the scale at which the system is observed, and a mixing index that can capture the features at different length scales is desirable. In this article, we analyze the scale dependence of the mixing indices developed for Eulerian multiphase models. Relevant length scales are distinguished by filtering solid fraction fields. The scale‐dependence study is first done on manufactured fields of solid fraction to assess the performance of the mixing indices. The study is extended to a two‐dimensional CFD simulation of the segregation of a bidisperse gas–solid mixture. The local mixing index performs well in capturing the spatial variation of mixing at different scales. The scale dependence of two global mixing indices is considered in the study, where the state of mixing is defined based on statistical measures. We demonstrate that the choice of measures influences the sensitivity of mixing indices to mixing at different scales.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142042365","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ze Zong, Xuliang Deng, Dong Lin, Yang Xu, Qiuming He, Zhe Ma, De Chen, Chaohe Yang, Xiang Feng
Titanosilicate with H2O2 stands out as a highly consequential oxidized catalytic system, prized for its user‐friendly operation, mild conditions, and eco‐friendly attributes. However, a synthesis strategy for large surface area titanosilicalites approaching the theoretical lowest Si/Ti ratio without extra‐framework Ti species remains an ongoing challenge. In this study, we successfully synthesized single‐crystalline Ti‐rich nanosized aggregated TS‐1 by shielding effect with a Si/Ti polymer. This polymer demonstrated effectiveness in restraining TiO2 species by regulating the proximity of Si/Ti species in Ti‐Diol‐Si polymers. The polymer not only facilitated the synthesis of single‐crystalline Ti‐rich TS‐1 but also exploited the chain length of PEG, functioning as a shielding cage by hydrogen bonds, to synthesize nanosized aggregated TS‐1 (TS‐1‐PEG400). This TS‐1‐PEG400 exhibited superior conversion (~60%), selectivity (~90%), and stability in 1‐hexene epoxidation. This study not only establishes a synthesis pathway for Ti‐rich TS‐1 but also holds the potential to enhance related industrial oxidation reactions involving titanosilicates and H2O2.
{"title":"Shielding effect‐engineered single‐crystalline Ti‐rich nanosized aggregated TS‐1 for 1‐hexene epoxidation","authors":"Ze Zong, Xuliang Deng, Dong Lin, Yang Xu, Qiuming He, Zhe Ma, De Chen, Chaohe Yang, Xiang Feng","doi":"10.1002/aic.18566","DOIUrl":"https://doi.org/10.1002/aic.18566","url":null,"abstract":"Titanosilicate with H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub> stands out as a highly consequential oxidized catalytic system, prized for its user‐friendly operation, mild conditions, and eco‐friendly attributes. However, a synthesis strategy for large surface area titanosilicalites approaching the theoretical lowest Si/Ti ratio without extra‐framework Ti species remains an ongoing challenge. In this study, we successfully synthesized single‐crystalline Ti‐rich nanosized aggregated TS‐1 by shielding effect with a Si/Ti polymer. This polymer demonstrated effectiveness in restraining TiO<jats:sub>2</jats:sub> species by regulating the proximity of Si/Ti species in Ti‐Diol‐Si polymers. The polymer not only facilitated the synthesis of single‐crystalline Ti‐rich TS‐1 but also exploited the chain length of PEG, functioning as a shielding cage by hydrogen bonds, to synthesize nanosized aggregated TS‐1 (TS‐1‐PEG400). This TS‐1‐PEG400 exhibited superior conversion (~60%), selectivity (~90%), and stability in 1‐hexene epoxidation. This study not only establishes a synthesis pathway for Ti‐rich TS‐1 but also holds the potential to enhance related industrial oxidation reactions involving titanosilicates and H<jats:sub>2</jats:sub>O<jats:sub>2</jats:sub>.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142042457","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ionic liquids (ILs) are promising solvents for separating aromatics from fuel oils. However, studies for separate polycyclic aromatics with ILs are rare and insufficient, and the impact of solute structure on extraction performance still needs to be determined. In this work, we use 1‐ethyl‐3‐methylimidazolium bis([trifluoromethyl]sulfonyl)imide ([EMIM][NTF2]) as an extractant to separate 1‐methylnaphthalene, quinoline, and benzothiophene from dodecane mixtures. Liquid–liquid equilibrium experiments identified the optimal operating conditions. Nine solute molecules, including five alkanes and four aromatic hydrocarbons, were used to study the relationship between extraction performance and solute structure. Molecular dynamics simulation and quantum chemistry calculations gave a deep insight and reasonable interpretation of the structure‐performance relationship at the molecular level. An industrial‐scale extraction process was proposed. The IL can be easily regenerated using heptane as a back‐extractive solvent. A high‐purity fuel oil with aromatic content below 0.5 wt% is obtained after 8‐stage extraction.
{"title":"Solute structure effect on polycyclic aromatics separation from fuel oil: Molecular mechanism and experimental insights","authors":"Qinghua Liu, Ruisong Zhu, Fei Zhao, Minghao Song, Chengmin Gui, Shengchao Yang, Zhigang Lei, Guoxuan Li","doi":"10.1002/aic.18574","DOIUrl":"https://doi.org/10.1002/aic.18574","url":null,"abstract":"Ionic liquids (ILs) are promising solvents for separating aromatics from fuel oils. However, studies for separate polycyclic aromatics with ILs are rare and insufficient, and the impact of solute structure on extraction performance still needs to be determined. In this work, we use 1‐ethyl‐3‐methylimidazolium bis([trifluoromethyl]sulfonyl)imide ([EMIM][NTF<jats:sub>2</jats:sub>]) as an extractant to separate 1‐methylnaphthalene, quinoline, and benzothiophene from dodecane mixtures. Liquid–liquid equilibrium experiments identified the optimal operating conditions. Nine solute molecules, including five alkanes and four aromatic hydrocarbons, were used to study the relationship between extraction performance and solute structure. Molecular dynamics simulation and quantum chemistry calculations gave a deep insight and reasonable interpretation of the structure‐performance relationship at the molecular level. An industrial‐scale extraction process was proposed. The IL can be easily regenerated using heptane as a back‐extractive solvent. A high‐purity fuel oil with aromatic content below 0.5 wt% is obtained after 8‐stage extraction.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142007615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The influence of silo width on dense granular flow in a two‐dimensional silo is investigated through experiments and simulations. Though the flow rate remains stable for larger silo widths, a slight reduction in silo width results in a significant increase in flow rate for smaller silo widths. Both Beverloo's and Janda's formula accurately capture the relationship between the flow rate and outlet size. Flow characteristics in the regions near the outlet exhibit local self‐similarity, supporting Beverloo and Janda's principles. Moreover, global self‐similarity is analyzed, indicated by the transition in flow state from mass flow in regions far from the outlet to funnel flow near the outlet. The earlier occurrence of this transition favors to enhance the grain velocity and consequently increases the dense flow rate. An exponential scaling law is proposed to describe the dependencies of flow rate, grain velocity, and transition height on silo width.
{"title":"Global self‐similarity of dense granular flow in silo: The role of silo width","authors":"Changhao Li, Xin Li, Xiangui Chen, Zaixin Wang, Min Sun, Decai Huang","doi":"10.1002/aic.18583","DOIUrl":"https://doi.org/10.1002/aic.18583","url":null,"abstract":"The influence of silo width on dense granular flow in a two‐dimensional silo is investigated through experiments and simulations. Though the flow rate remains stable for larger silo widths, a slight reduction in silo width results in a significant increase in flow rate for smaller silo widths. Both Beverloo's and Janda's formula accurately capture the relationship between the flow rate and outlet size. Flow characteristics in the regions near the outlet exhibit local self‐similarity, supporting Beverloo and Janda's principles. Moreover, global self‐similarity is analyzed, indicated by the transition in flow state from mass flow in regions far from the outlet to funnel flow near the outlet. The earlier occurrence of this transition favors to enhance the grain velocity and consequently increases the dense flow rate. An exponential scaling law is proposed to describe the dependencies of flow rate, grain velocity, and transition height on silo width.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142007591","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Si‐Qi Zhang, Yin‐Ning Zhou, Jie Jin, Zheng‐Hong Luo
Precise control over sequence structure in copolymers is essential for chemical product engineering. The complexity of sequence structures results in the challenging characterization of monomer sequences. Herein, a chemical composition model (CD model) is developed to record the distribution density of monomers in the chain segment, where the deviation of the chemical composition function between a copolymer and its ideal sequence structure can directly map the sequence structure quality. The application of the CD model in randomly generated virtual copolymers demonstrates that the model has great sensitivity and discrimination to evaluate sequence structures accurately. Furthermore, the CD model is combined with the kinetic Monte Carlo algorithm to explicitly track the evolution of sequence structure quality in the copolymerization process. The CD model provides an insight into the evolution of sequence structure, which is conducive to building the bridge between molecular structure and properties for the development of chemical product engineering.
{"title":"A novel model for tracking copolymerization kinetics: Sequence structure quality evaluation","authors":"Si‐Qi Zhang, Yin‐Ning Zhou, Jie Jin, Zheng‐Hong Luo","doi":"10.1002/aic.18586","DOIUrl":"https://doi.org/10.1002/aic.18586","url":null,"abstract":"Precise control over sequence structure in copolymers is essential for chemical product engineering. The complexity of sequence structures results in the challenging characterization of monomer sequences. Herein, a chemical composition model (CD model) is developed to record the distribution density of monomers in the chain segment, where the deviation of the chemical composition function between a copolymer and its ideal sequence structure can directly map the sequence structure quality. The application of the CD model in randomly generated virtual copolymers demonstrates that the model has great sensitivity and discrimination to evaluate sequence structures accurately. Furthermore, the CD model is combined with the kinetic Monte Carlo algorithm to explicitly track the evolution of sequence structure quality in the copolymerization process. The CD model provides an insight into the evolution of sequence structure, which is conducive to building the bridge between molecular structure and properties for the development of chemical product engineering.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142002841","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Organic solvent reverse osmosis (OSRO) is an emerging and promising technology for the separation of organic mixtures, which is realized by differential transport rates of organics through polymer membranes. However, the solvent transport characteristics and separation mechanism within OSRO systems remain unclear. Herein, we investigate the solvent transport behavior in polymer membranes with intrinsic microporosity by combining nonequilibrium molecular dynamics simulations with solvent permeation examinations. The results indicate that organic molecules permeate through the micropores in a clustered state driven by both pressure and concentration gradients. The selectivity of solvents is co‐determined by their sorption and diffusion in the swollen polymer membranes with a microporous character. The sorption selectivity is predominant in the overall selectivity toward polar ethyl ether/n‐butanol separation, whereas diffusion selectivity is more critical in nonpolar 1,3,5‐triisopropylbenzene/toluene separation. Generally, this work provides valuable insights into the development of next‐generation OSRO membranes for solvent separation.
{"title":"Solvent transport behavior in polymer membranes with intrinsic microporosity for organic solvent reverse osmosis","authors":"Jiaqi Li, Fupeng Li, Yijie Fang, Hukang Guo, Weilin Feng, Qin Shen, Chuanjie Fang, Jianyu Wang, Liping Zhu","doi":"10.1002/aic.18564","DOIUrl":"https://doi.org/10.1002/aic.18564","url":null,"abstract":"Organic solvent reverse osmosis (OSRO) is an emerging and promising technology for the separation of organic mixtures, which is realized by differential transport rates of organics through polymer membranes. However, the solvent transport characteristics and separation mechanism within OSRO systems remain unclear. Herein, we investigate the solvent transport behavior in polymer membranes with intrinsic microporosity by combining nonequilibrium molecular dynamics simulations with solvent permeation examinations. The results indicate that organic molecules permeate through the micropores in a clustered state driven by both pressure and concentration gradients. The selectivity of solvents is co‐determined by their sorption and diffusion in the swollen polymer membranes with a microporous character. The sorption selectivity is predominant in the overall selectivity toward polar ethyl ether/n‐butanol separation, whereas diffusion selectivity is more critical in nonpolar 1,3,5‐triisopropylbenzene/toluene separation. Generally, this work provides valuable insights into the development of next‐generation OSRO membranes for solvent separation.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141994614","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We have developed a general model to predict CO2 equilibrium solubility in aqueous tertiary amine solutions by relating the equilibrium constant (K1) to all relevant parameters in a logical function form. Testing our model, we measured CO2 equilibrium solubility data for N‐methylmorpholine (NMM) and N‐ethylmorpholine (NEM) across various conditions. Comparison with six existing models reveals our general model's superior predictive performance not only for NMM and NEM but also for an additional 10 tertiary amine solutions from literature, indicating its universality. Comprehensively considering the CO2 equilibrium solubility, amine dissociation constant (pKa) and the CO2 absorption heat, it is found that NMM and NEM may be promising desorption promoters enabling to reduce the energy cost. In short, it is expected the general model can be applied to more other tertiary amine systems.
{"title":"A general model for prediction of the CO2 equilibrium solubility in aqueous tertiary amine systems","authors":"Cheng Yu, Hao Ling, Zhigang Shen, Hongyun Yang, Dapeng Cao, Xiayi Hu","doi":"10.1002/aic.18551","DOIUrl":"https://doi.org/10.1002/aic.18551","url":null,"abstract":"We have developed a general model to predict CO<jats:sub>2</jats:sub> equilibrium solubility in aqueous tertiary amine solutions by relating the equilibrium constant (<jats:italic>K</jats:italic><jats:sub>1</jats:sub>) to all relevant parameters in a logical function form. Testing our model, we measured CO<jats:sub>2</jats:sub> equilibrium solubility data for N‐methylmorpholine (NMM) and N‐ethylmorpholine (NEM) across various conditions. Comparison with six existing models reveals our general model's superior predictive performance not only for NMM and NEM but also for an additional 10 tertiary amine solutions from literature, indicating its universality. Comprehensively considering the CO<jats:sub>2</jats:sub> equilibrium solubility, amine dissociation constant (pKa) and the CO<jats:sub>2</jats:sub> absorption heat, it is found that NMM and NEM may be promising desorption promoters enabling to reduce the energy cost. In short, it is expected the general model can be applied to more other tertiary amine systems.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141994615","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dominick Filonowich, Sachin Velankar, John A. Keith
Polymer crystal hydrates (PCHs) are crystalline solids that form between a polymer and water. To date, only four distinct PCHs have been discovered—one of polyoxacyclobutane (POCB) and water, and three different polymorphs of polyethyleneimine (PEI) and water. These PCHs were first reported decades ago and have fascinating structures and peculiar properties that make them potentially useful for a wide range of applications including refrigeration, proton conduction membranes, and desalination. This perspective revisits what is known about these compounds, categorizes their similarities and differences with other known compounds, and offers a perspective into future efforts to discover new PCHs to address technological needs for society.
{"title":"The fascinating world of polymer crystal hydrates: An overview","authors":"Dominick Filonowich, Sachin Velankar, John A. Keith","doi":"10.1002/aic.18556","DOIUrl":"10.1002/aic.18556","url":null,"abstract":"<p>Polymer crystal hydrates (PCHs) are crystalline solids that form between a polymer and water. To date, only four distinct PCHs have been discovered—one of polyoxacyclobutane (POCB) and water, and three different polymorphs of polyethyleneimine (PEI) and water. These PCHs were first reported decades ago and have fascinating structures and peculiar properties that make them potentially useful for a wide range of applications including refrigeration, proton conduction membranes, and desalination. This perspective revisits what is known about these compounds, categorizes their similarities and differences with other known compounds, and offers a perspective into future efforts to discover new PCHs to address technological needs for society.</p>","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.5,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/aic.18556","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141998775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mohammad Lameh, Patrick Linke, Dhabia M. Al‐Mohannadi
Reducing emissions requires transitioning towards decarbonized systems through avoiding, processing, or offsetting. Decisions on system design are associated with high costs which can be reduced at the planning stage through optimization. The temporal variations in power demand and renewable energy supply significantly impact the design of a low‐emissions energy system. Effective decision‐making must consider such impact in a comprehensive framework that accounts for the potential synergies between different options. This work presents a mixed integer linear programming model that considers the impacts of energy supply and demand dynamics to optimize the design and operation of an integrated energy system while adhering to a set emissions limit. The model integrates renewable power with CO2 capture, utilization, and sequestration by considering H2 production and storage. The case study showed including negative emissions technologies and CO2 capture and processing with renewable energy allows achieving net zero emissions power.
减少排放需要通过避免、处理或抵消向非碳化系统过渡。系统设计决策涉及高成本，可在规划阶段通过优化降低成本。电力需求和可再生能源供应的时间变化会对低排放能源系统的设计产生重大影响。有效的决策必须在一个全面的框架内考虑这种影响，并考虑不同方案之间的潜在协同效应。本研究提出了一个混合整数线性规划模型，该模型考虑了能源供需动态的影响，以优化综合能源系统的设计和运行，同时遵守设定的排放限制。该模型通过考虑 H2 的生产和储存，将可再生能源发电与 CO2 捕获、利用和封存整合在一起。案例研究表明，将负排放技术和二氧化碳捕集与处理技术与可再生能源结合起来，可以实现电力的净零排放。
{"title":"Carbon neutral energy systems: Optimal integration of energy systems with CO2 abatement pathways","authors":"Mohammad Lameh, Patrick Linke, Dhabia M. Al‐Mohannadi","doi":"10.1002/aic.18568","DOIUrl":"https://doi.org/10.1002/aic.18568","url":null,"abstract":"Reducing emissions requires transitioning towards decarbonized systems through avoiding, processing, or offsetting. Decisions on system design are associated with high costs which can be reduced at the planning stage through optimization. The temporal variations in power demand and renewable energy supply significantly impact the design of a low‐emissions energy system. Effective decision‐making must consider such impact in a comprehensive framework that accounts for the potential synergies between different options. This work presents a mixed integer linear programming model that considers the impacts of energy supply and demand dynamics to optimize the design and operation of an integrated energy system while adhering to a set emissions limit. The model integrates renewable power with CO<jats:sub>2</jats:sub> capture, utilization, and sequestration by considering H<jats:sub>2</jats:sub> production and storage. The case study showed including negative emissions technologies and CO<jats:sub>2</jats:sub> capture and processing with renewable energy allows achieving net zero emissions power.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141994616","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jimin Park, Mujin Cheon, David Inhyuk Kim, Daeseon Park, Jay H. Lee, Dong‐Yeun Koh
This study presents a sustainable approach to extracting hydrogen fluoride (HF) from wastewater using hollow fiber membrane contactors. HF, a widely used yet hazardous chemical, requires efficient separation techniques due to its environmental and health concerns. Our research compared two operational modes, vacuum mode and liquid–liquid extraction mode, revealing the latter as more efficient for HF separation. Notably, this study introduces a novel aspect by employing a data‐driven decision‐making method, Bayesian optimization (BO) for process optimization of the liquid–liquid extraction mode, aiming to maximize HF removal efficiency at low experimental costs. Subsequent validation through a 96‐h experimental run confirms the suitability of the optimized conditions for industrial applications. This study not only demonstrates an efficient HF separation process using hollow fiber membrane contactors but also establishes a new standard for complex industrial process optimization.
{"title":"Efficient extraction of hydrogen fluoride using hollow fiber membrane contactors with the aid of active‐learning","authors":"Jimin Park, Mujin Cheon, David Inhyuk Kim, Daeseon Park, Jay H. Lee, Dong‐Yeun Koh","doi":"10.1002/aic.18546","DOIUrl":"https://doi.org/10.1002/aic.18546","url":null,"abstract":"This study presents a sustainable approach to extracting hydrogen fluoride (HF) from wastewater using hollow fiber membrane contactors. HF, a widely used yet hazardous chemical, requires efficient separation techniques due to its environmental and health concerns. Our research compared two operational modes, vacuum mode and liquid–liquid extraction mode, revealing the latter as more efficient for HF separation. Notably, this study introduces a novel aspect by employing a data‐driven decision‐making method, Bayesian optimization (BO) for process optimization of the liquid–liquid extraction mode, aiming to maximize HF removal efficiency at low experimental costs. Subsequent validation through a 96‐h experimental run confirms the suitability of the optimized conditions for industrial applications. This study not only demonstrates an efficient HF separation process using hollow fiber membrane contactors but also establishes a new standard for complex industrial process optimization.","PeriodicalId":120,"journal":{"name":"AIChE Journal","volume":null,"pages":null},"PeriodicalIF":3.7,"publicationDate":"2024-08-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141986271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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