Pub Date : 2025-12-11DOI: 10.1016/j.cherd.2025.12.022
Zhixin Sun , Xiaoheng Li , Bingyu Chen , Xiaokang Yan , Lijun Wang , Lin Li , Haijun Zhang
Isotropic turbulence plays a fundamental role in turbulence research and helps to understand more complex turbulent flows. Oscillating grid is a commonly used method for generating nearly uniform and isotropic turbulence in experimental research. However, the factors that govern the extent of the isotropic region remain uncertain, and discrepancies persist among the predictive correlations for the effective turbulence intensity. In this study, Large Eddy Simulation was conducted to examine the spatial characteristics of turbulence generated by a pair of horizontally oscillating grids. The effects of spatial position, oscillation amplitude, and frequency on the turbulent kinetic energy spectrum, dissipation rate, and effective turbulence intensity were systematically analyzed. Furthermore, the influence of energy input variations on turbulence intensity was investigated, and a modified correlation for effective turbulence intensity applicable to this configuration was proposed. This work provides a numerical framework for studying oscillating-grid turbulence and offers practical guidance for the structural design and optimization of grid configurations.
{"title":"Spatial characteristics of turbulence induced by a pair of horizontally oscillating grids: A large eddy simulation study","authors":"Zhixin Sun , Xiaoheng Li , Bingyu Chen , Xiaokang Yan , Lijun Wang , Lin Li , Haijun Zhang","doi":"10.1016/j.cherd.2025.12.022","DOIUrl":"10.1016/j.cherd.2025.12.022","url":null,"abstract":"<div><div>Isotropic turbulence plays a fundamental role in turbulence research and helps to understand more complex turbulent flows. Oscillating grid is a commonly used method for generating nearly uniform and isotropic turbulence in experimental research. However, the factors that govern the extent of the isotropic region remain uncertain, and discrepancies persist among the predictive correlations for the effective turbulence intensity. In this study, Large Eddy Simulation was conducted to examine the spatial characteristics of turbulence generated by a pair of horizontally oscillating grids. The effects of spatial position, oscillation amplitude, and frequency on the turbulent kinetic energy spectrum, dissipation rate, and effective turbulence intensity were systematically analyzed. Furthermore, the influence of energy input variations on turbulence intensity was investigated, and a modified correlation for effective turbulence intensity applicable to this configuration was proposed. This work provides a numerical framework for studying oscillating-grid turbulence and offers practical guidance for the structural design and optimization of grid configurations.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"226 ","pages":"Pages 41-54"},"PeriodicalIF":3.9,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145838711","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}
Pub Date : 2025-12-11DOI: 10.1016/j.cherd.2025.12.025
Chandra Bhushan , Devanshi Sharma , Debayan Das
Cellulose-based paper assays are attractive as low-cost, sustainable diagnostic platforms but are frequently hampered by uncontrolled hydrodynamic dispersion that degrades analyte confinement and lowers detection fidelity. Reducing dispersion is therefore essential to improve sensitivity and reliable readout in resource-constrained settings. Here, we demonstrate a simple, reagent-free strategy based on punch-induced geometric patterning: circular and segmented cuts that disrupt capillary continuity and suppress lateral spreading in cellulose membranes. Four commercial papers (Filter-Paper 113, 441, 442, and Ashless) were systematically tested under controlled hydration using a thymolphthalein-NaOH colorimetric model. Quantitative image analysis shows that at full saturation, circular cuts reduce dispersion by ∼15–60 % relative to unmodified membranes, whereas segmented cuts achieve substantially higher reductions, reaching ∼80–90 % in 442 and Ashless paper membranes and ∼20–40 % in 113 and 441 membranes. These results highlight that segmented cuts provide robust dispersion control even under maximum hydration, where conventional designs typically fail. Mechanistic interpretation suggests that the segmented geometry increases local hydraulic resistance in lateral pathways, sharpening colorimetric peaks and enhancing signal-to-background ratio. Importantly, the purely physical modification enables consistent reagent stabilization through simple oven drying under controlled conditions, offering a practical alternative to lyophilization for small-scale fabrication and resource-limited settings. Finally, the findings open a practical pathway for extending geometric patterning to multiplex detection layouts (two-, four-, six-, or eight-hole configurations), where precise spot localization and minimization of signal overlap are essential for reliable multi-analyte assays. This approach offers a low-cost, manufacturable route to more robust paper-based diagnostics.
{"title":"Punch-based structural design strategies for controlled dispersion in paper assays","authors":"Chandra Bhushan , Devanshi Sharma , Debayan Das","doi":"10.1016/j.cherd.2025.12.025","DOIUrl":"10.1016/j.cherd.2025.12.025","url":null,"abstract":"<div><div>Cellulose-based paper assays are attractive as low-cost, sustainable diagnostic platforms but are frequently hampered by uncontrolled hydrodynamic dispersion that degrades analyte confinement and lowers detection fidelity. Reducing dispersion is therefore essential to improve sensitivity and reliable readout in resource-constrained settings. Here, we demonstrate a simple, reagent-free strategy based on punch-induced geometric patterning: circular and segmented cuts that disrupt capillary continuity and suppress lateral spreading in cellulose membranes. Four commercial papers (Filter-Paper 113, 441, 442, and Ashless) were systematically tested under controlled hydration using a thymolphthalein-NaOH colorimetric model. Quantitative image analysis shows that at full saturation, circular cuts reduce dispersion by ∼15–60 % relative to unmodified membranes, whereas segmented cuts achieve substantially higher reductions, reaching ∼80–90 % in 442 and Ashless paper membranes and ∼20–40 % in 113 and 441 membranes. These results highlight that segmented cuts provide robust dispersion control even under maximum hydration, where conventional designs typically fail. Mechanistic interpretation suggests that the segmented geometry increases local hydraulic resistance in lateral pathways, sharpening colorimetric peaks and enhancing signal-to-background ratio. Importantly, the purely physical modification enables consistent reagent stabilization through simple oven drying under controlled conditions, offering a practical alternative to lyophilization for small-scale fabrication and resource-limited settings. Finally, the findings open a practical pathway for extending geometric patterning to multiplex detection layouts (two-, four-, six-, or eight-hole configurations), where precise spot localization and minimization of signal overlap are essential for reliable multi-analyte assays. This approach offers a low-cost, manufacturable route to more robust paper-based diagnostics.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 328-340"},"PeriodicalIF":3.9,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787596","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}
Pub Date : 2025-12-11DOI: 10.1016/j.cherd.2025.12.021
Zhi Lei Wang , Sook Fun Pang , Jolius Gimbun
This study investigates the hydrodynamics and power characteristics of a gas–liquid stirred tank equipped with either a long-armed pitched paddle (LAPP) impeller or a Rushton disc turbine (RDT) operating at a high gas flow rate of 1.1 VVM. The mean and turbulent flow fields were quantified using two-dimensional particle image velocimetry (PIV), while the power draw was measured with an in-line torque meter. The LAPP impeller exhibited a turbulent power number of 1.21. Under gassed conditions, the power draw was reduced by up to 60 %, demonstrating a superior gas-handling capability compared to the RDT. In single-phase flow, both impellers generated a double-loop circulation pattern near the tank wall. The LAPP impeller attained maximum radial and axial velocities of approximately 0.18 Vtip and 0.25 Vtip, respectively, consistent with values typically reported for axial-flow impellers such as the PBT or Maxflo T. Under aeration, the mean and turbulent flow structures were significantly influenced by bubble-induced motion. Overall, the LAPP impeller exhibited efficient gas dispersion and low-shear mixing characteristics, confirming its suitability for high gas flow operations.
{"title":"Measurement of mean and turbulence flow of gas-liquid stirred tank operating at high gas flow rates","authors":"Zhi Lei Wang , Sook Fun Pang , Jolius Gimbun","doi":"10.1016/j.cherd.2025.12.021","DOIUrl":"10.1016/j.cherd.2025.12.021","url":null,"abstract":"<div><div>This study investigates the hydrodynamics and power characteristics of a gas–liquid stirred tank equipped with either a long-armed pitched paddle (LAPP) impeller or a Rushton disc turbine (RDT) operating at a high gas flow rate of 1.1 VVM. The mean and turbulent flow fields were quantified using two-dimensional particle image velocimetry (PIV), while the power draw was measured with an in-line torque meter. The LAPP impeller exhibited a turbulent power number of 1.21. Under gassed conditions, the power draw was reduced by up to 60 %, demonstrating a superior gas-handling capability compared to the RDT. In single-phase flow, both impellers generated a double-loop circulation pattern near the tank wall. The LAPP impeller attained maximum radial and axial velocities of approximately 0.18 Vtip and 0.25 Vtip, respectively, consistent with values typically reported for axial-flow impellers such as the PBT or Maxflo T. Under aeration, the mean and turbulent flow structures were significantly influenced by bubble-induced motion. Overall, the LAPP impeller exhibited efficient gas dispersion and low-shear mixing characteristics, confirming its suitability for high gas flow operations.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 245-259"},"PeriodicalIF":3.9,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734666","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}
Pub Date : 2025-12-11DOI: 10.1016/j.cherd.2025.12.019
Yan Cui , Tao Liu , Mingyan Zhao , Bo Song , Xiongwei Ni , Junghui Chen
To predict the solute concentration distribution (SCD) during continuous crystallization via a continuous oscillatory baffled crystallizer (COBC), a novel physics-informed neural network (PINN) based soft modelling method is proposed in this paper. By analyzing the sensitivity of solute concentration at the COBC outlet with respect to the main operating conditions (e.g., initial solution supersaturation ratio and liquid flow rate), a sensitivity analysis-based design of experiments (SA-DoE) is developed to generate informative data for model training, which can effectively reduce the number of experiments for implementation. Meanwhile, a pseudo two-dimensional (2D) fluid kinetic model is built to reflect the relationship between the crystal velocity and liquid flow velocity during the continuous crystallization process via COBC, which can be effectively used in the PINN-based model building for predicting SCD. Simulation studies and experiments on the continuous crystallization process of β form L-glutamic acid are conducted to demonstrate the effectiveness and advantage of the proposed modeling method.
{"title":"PINN modeling for predicting the solute concentration distribution of COBC with case study on L-glutamic acid crystallization","authors":"Yan Cui , Tao Liu , Mingyan Zhao , Bo Song , Xiongwei Ni , Junghui Chen","doi":"10.1016/j.cherd.2025.12.019","DOIUrl":"10.1016/j.cherd.2025.12.019","url":null,"abstract":"<div><div>To predict the solute concentration distribution (SCD) during continuous crystallization via a continuous oscillatory baffled crystallizer (COBC), a novel physics-informed neural network (PINN) based soft modelling method is proposed in this paper. By analyzing the sensitivity of solute concentration at the COBC outlet with respect to the main operating conditions (e.g., initial solution supersaturation ratio and liquid flow rate), a sensitivity analysis-based design of experiments (SA-DoE) is developed to generate informative data for model training, which can effectively reduce the number of experiments for implementation. Meanwhile, a pseudo two-dimensional (2D) fluid kinetic model is built to reflect the relationship between the crystal velocity and liquid flow velocity during the continuous crystallization process via COBC, which can be effectively used in the PINN-based model building for predicting SCD. Simulation studies and experiments on the continuous crystallization process of β form L-glutamic acid are conducted to demonstrate the effectiveness and advantage of the proposed modeling method.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 363-375"},"PeriodicalIF":3.9,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787541","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}
Pub Date : 2025-12-11DOI: 10.1016/j.cherd.2025.12.023
Yongming Han , Yanlong Chen , Lin Liu , Xintian Wang , Zhiwei Chen , Jinzhen Fan , Zhiqiang Geng
Process parameter control in polypropylene (PP) production significantly affects product quality and yield. And the melt index (MI) reflects PP mechanical properties, molecular weight and flow behavior, making it critical for quality assessment. The traditional method determines control parameters and feed composition using empirical formulas integrating process models to ensure product quality, but they struggle to capture nonlinear relationships between parameters and MI, leading to low accuracy. Therefore, an improved LSTM (ILSTM) model incorporating cross-network and depth layers is proposed to better capture these nonlinear interactions via Aspen Plus process simulations. Data exchange between process simulations and MI prediction model is achieved via ActiveX interface, with process model errors under 5 %. The ILSTM achieves mean absolute percentage error of 0.0092 and relative squared error of 0.124, demonstrating high prediction accuracy. Furthermore, the integrated model conducts sensitivity analysis on parameters influencing MI and output, offering guidance for production parameter adjustment.
{"title":"Modeling polypropylene production driven by data-mechanism coordination via Aspen Plus integrating the improved LSTM","authors":"Yongming Han , Yanlong Chen , Lin Liu , Xintian Wang , Zhiwei Chen , Jinzhen Fan , Zhiqiang Geng","doi":"10.1016/j.cherd.2025.12.023","DOIUrl":"10.1016/j.cherd.2025.12.023","url":null,"abstract":"<div><div>Process parameter control in polypropylene (PP) production significantly affects product quality and yield. And the melt index (MI) reflects PP mechanical properties, molecular weight and flow behavior, making it critical for quality assessment. The traditional method determines control parameters and feed composition using empirical formulas integrating process models to ensure product quality, but they struggle to capture nonlinear relationships between parameters and MI, leading to low accuracy. Therefore, an improved LSTM (ILSTM) model incorporating cross-network and depth layers is proposed to better capture these nonlinear interactions via Aspen Plus process simulations. Data exchange between process simulations and MI prediction model is achieved via ActiveX interface, with process model errors under 5 %. The ILSTM achieves mean absolute percentage error of 0.0092 and relative squared error of 0.124, demonstrating high prediction accuracy. Furthermore, the integrated model conducts sensitivity analysis on parameters influencing MI and output, offering guidance for production parameter adjustment.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 352-362"},"PeriodicalIF":3.9,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787542","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}
Pub Date : 2025-12-11DOI: 10.1016/j.cherd.2025.12.017
Zhirui Wang , Zhengxin Wang , Yongshuai Li , Hui Pan , Hao Ling
The numerous design alternatives and decision variables of complex distillation have presented significant challenges for its steady-state design. This work develops a Non-dominated Sorting Genetic Algorithm III (NSGA-III) to enable efficient multi-objective optimization in complex distillation design. The framework introduces combined convergence loss function, effectively improved the feasible domain discontinuity issue for complex distillation design. The proposed method is tested on the Kaibel dividing-wall column (KDWC), pressure swing reactive distillation (PS-RD), and pressure swing dividing-wall reactive distillation (PS-RDWC). The actual survival ratio and hypervolume are calculated. The hypervolume value of the three dimension fronts are 4397410.29 and 5874473.10 in PS-RD and RS-RDWC processes optimized by NSGA-Ⅲ. The hypervolume of NSGA-III are much bigger than NSGA-Ⅱ, revealing the superior performance of the NSGA-III. This algorithm provides a new path for complex distillation process optimization with inherent simulation convergence challenges.
{"title":"Multi-objective optimization design for complex distillation processes","authors":"Zhirui Wang , Zhengxin Wang , Yongshuai Li , Hui Pan , Hao Ling","doi":"10.1016/j.cherd.2025.12.017","DOIUrl":"10.1016/j.cherd.2025.12.017","url":null,"abstract":"<div><div>The numerous design alternatives and decision variables of complex distillation have presented significant challenges for its steady-state design. This work develops a Non-dominated Sorting Genetic Algorithm III (NSGA-III) to enable efficient multi-objective optimization in complex distillation design. The framework introduces combined convergence loss function, effectively improved the feasible domain discontinuity issue for complex distillation design. The proposed method is tested on the Kaibel dividing-wall column (KDWC), pressure swing reactive distillation (PS-RD), and pressure swing dividing-wall reactive distillation (PS-RDWC). The actual survival ratio and hypervolume are calculated. The hypervolume value of the three dimension fronts are 4397410.29 and 5874473.10 in PS-RD and RS-RDWC processes optimized by NSGA-Ⅲ. The hypervolume of NSGA-III are much bigger than NSGA-Ⅱ, revealing the superior performance of the NSGA-III. This algorithm provides a new path for complex distillation process optimization with inherent simulation convergence challenges.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 341-351"},"PeriodicalIF":3.9,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787592","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}
Pub Date : 2025-12-11DOI: 10.1016/j.cherd.2025.12.024
Daniel Rhymer , Jack Alan Sykes , Andy Ingram , Kit Windows-Yule
In this paper, the Positron Emission Particle Tracking (PEPT) technique demonstrates how interstitial fluid viscosity affects media dynamics within a Vertical Stirred Mill. This is the first full paper facilitating direct, experimental insight into the role fluids play on the three-dimensional dynamics of a vertical stirred mill. Three different silicone oils were used to explore the impact of slurry viscosity, These model oils offered more controllable properties than the particle-laden slurries used in grinding making testing a fairer comparison. Higher viscosity oils created a greater damping effect on the grinding media contacts by increasing drag force, resulting in a larger, more tightly packed media bed and reducing the average velocity by up to 40%. This would be expected to reduce grinding efficiency due to a smaller high-energy region at the free surface. Quantifiable measures of net force and power demonstrated that the media had greater force and were more efficient with low-viscosity oil and higher attritor speeds, reducing power consumption by over two-thirds. The rich three-dimensional data collected can also be used to calibrate computer models of the mill in future research, enhancing the overall understanding of this intricate system. A link to the raw data can be found at https://doi.org/10.5281/zenodo.13310563 so other researchers can calibrate a mill simulation for their own work.
{"title":"Understanding the effect of fluid viscosity in vertical stirred mills using the Positron Emission Particle Tracking (PEPT) approach","authors":"Daniel Rhymer , Jack Alan Sykes , Andy Ingram , Kit Windows-Yule","doi":"10.1016/j.cherd.2025.12.024","DOIUrl":"10.1016/j.cherd.2025.12.024","url":null,"abstract":"<div><div>In this paper, the Positron Emission Particle Tracking (PEPT) technique demonstrates how interstitial fluid viscosity affects media dynamics within a Vertical Stirred Mill. This is the first full paper facilitating direct, experimental insight into the role fluids play on the three-dimensional dynamics of a vertical stirred mill. Three different silicone oils were used to explore the impact of slurry viscosity, These model oils offered more controllable properties than the particle-laden slurries used in grinding making testing a fairer comparison. Higher viscosity oils created a greater damping effect on the grinding media contacts by increasing drag force, resulting in a larger, more tightly packed media bed and reducing the average velocity by up to 40%. This would be expected to reduce grinding efficiency due to a smaller high-energy region at the free surface. Quantifiable measures of net force and power demonstrated that the media had greater force and were more efficient with low-viscosity oil and higher attritor speeds, reducing power consumption by over two-thirds. The rich three-dimensional data collected can also be used to calibrate computer models of the mill in future research, enhancing the overall understanding of this intricate system. A link to the raw data can be found at <span><span>https://doi.org/10.5281/zenodo.13310563</span><svg><path></path></svg></span> so other researchers can calibrate a mill simulation for their own work.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 293-302"},"PeriodicalIF":3.9,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787597","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}
Pub Date : 2025-12-10DOI: 10.1016/j.cherd.2025.12.018
Fangru Zhou , Mi Zhou , Yuqian He , Yang Yuan , Zhuowei Zhang , Yingjie Zhang , Jun Ma , Linlin Yan , Xiquan Cheng
As a cutting-edge method, membrane separation technology effectively addresses high-algae water, mitigating the threats posed by it to public health and environmental sustainability, especially ceramic membranes. Ceramic membranes with stable physical and chemical properties exhibit remarkable permeance and superior rejection performance in algae-laden water treatment, yet their large-scale deployment is impeded by serious membrane fouling. Here, we propose a facile strategy to prepare anti-fouling ceramic membranes by depositing multifunctional coatings on the surface through soaking in a blend solution of PDA and KH560 to tailor the surface structure and hydrophilicity. The introduction of multi-functional coating optimized the physical and chemical structure of the surface, thereby increasing the hydrophilicity of the membrane and reducing surface roughness and pore size. As a result, the pure water flux of the modified membrane increased by 38.4 % compared with the original membrane, and the modified membrane exhibited a reduction in irreversible fouling from 5.0 % to 2.5 % and also an increase in flux recovery from 79.7 % to 98.6 %. Interestingly, the dissolved organic carbon (DOC) and the UV254 removal rates of the filtrate decreased by 63.2 % and 75.6 %, respectively. Notably, dead algae cells and extracellular organic matter (EOM) were identified as the main factors inducing irreversible fouling of the membrane during the filtration process, and furthermore, the modified membrane alleviated the irreversible fouling via multiple mechanisms including the Donnan effect and pore size screening. Overall, the study provides a new solution and theoretical basis for the development of anti-fouling ceramic membranes.
{"title":"Hydrophilic regulation of ceramic membrane surface for efficient treatment of algae wastewater","authors":"Fangru Zhou , Mi Zhou , Yuqian He , Yang Yuan , Zhuowei Zhang , Yingjie Zhang , Jun Ma , Linlin Yan , Xiquan Cheng","doi":"10.1016/j.cherd.2025.12.018","DOIUrl":"10.1016/j.cherd.2025.12.018","url":null,"abstract":"<div><div>As a cutting-edge method, membrane separation technology effectively addresses high-algae water, mitigating the threats posed by it to public health and environmental sustainability, especially ceramic membranes. Ceramic membranes with stable physical and chemical properties exhibit remarkable permeance and superior rejection performance in algae-laden water treatment, yet their large-scale deployment is impeded by serious membrane fouling. Here, we propose a facile strategy to prepare anti-fouling ceramic membranes by depositing multifunctional coatings on the surface through soaking in a blend solution of PDA and KH560 to tailor the surface structure and hydrophilicity. The introduction of multi-functional coating optimized the physical and chemical structure of the surface, thereby increasing the hydrophilicity of the membrane and reducing surface roughness and pore size. As a result, the pure water flux of the modified membrane increased by 38.4 % compared with the original membrane, and the modified membrane exhibited a reduction in irreversible fouling from 5.0 % to 2.5 % and also an increase in flux recovery from 79.7 % to 98.6 %. Interestingly, the dissolved organic carbon (DOC) and the UV<sub>254</sub> removal rates of the filtrate decreased by 63.2 % and 75.6 %, respectively. Notably, dead algae cells and extracellular organic matter (EOM) were identified as the main factors inducing irreversible fouling of the membrane during the filtration process, and furthermore, the modified membrane alleviated the irreversible fouling via multiple mechanisms including the Donnan effect and pore size screening. Overall, the study provides a new solution and theoretical basis for the development of anti-fouling ceramic membranes.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 211-219"},"PeriodicalIF":3.9,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734668","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}
Pub Date : 2025-12-10DOI: 10.1016/j.cherd.2025.12.020
Parth Shah , Jay Liu , Joseph Sang-Il Kwon
Many real-world chemical processes exhibit dynamics that span widely separated timescales, creating challenges in modeling, simulation, and control. Accurately resolving fast transients alongside slow evolutions is computationally demanding, as stiff systems often require fine temporal discretization for numerical stability, particularly when using detailed first-principles models. Crystallization processes exemplify such two-timescale systems, where rapid nucleation and crystal growth interact with slower aggregation dynamics to shape the evolving crystal size distribution (CSD). Traditional population balance models, such as the Smoluchowski framework, become computationally intractable due to the nonlinear and stiff nature of aggregation terms. To overcome these challenges, we propose a two-timescale-based hybrid modeling framework that integrates method-of-moments (MoM) equations to capture fast dynamics from nucleation and growth, while a deep neural network (DNN) surrogate replaces the computationally intensive aggregation terms. This separation allows fast and slow subsystems to be handled using tailored modeling strategies, improving numerical stability and simulation speed without compromising accuracy. We embed this hybrid model within a model predictive control (MPC) architecture to manipulate temperature trajectories, enabling independent control of nucleation, growth, and aggregation rates. Our results demonstrate that this framework enables precise regulation of the CSD and shows strong potential for enhancing product uniformity and quality in pharmaceutical crystallization processes.
{"title":"Two-timescale-based hybrid modeling framework for crystallization processes","authors":"Parth Shah , Jay Liu , Joseph Sang-Il Kwon","doi":"10.1016/j.cherd.2025.12.020","DOIUrl":"10.1016/j.cherd.2025.12.020","url":null,"abstract":"<div><div>Many real-world chemical processes exhibit dynamics that span widely separated timescales, creating challenges in modeling, simulation, and control. Accurately resolving fast transients alongside slow evolutions is computationally demanding, as stiff systems often require fine temporal discretization for numerical stability, particularly when using detailed first-principles models. Crystallization processes exemplify such two-timescale systems, where rapid nucleation and crystal growth interact with slower aggregation dynamics to shape the evolving crystal size distribution (CSD). Traditional population balance models, such as the Smoluchowski framework, become computationally intractable due to the nonlinear and stiff nature of aggregation terms. To overcome these challenges, we propose a two-timescale-based hybrid modeling framework that integrates method-of-moments (MoM) equations to capture fast dynamics from nucleation and growth, while a deep neural network (DNN) surrogate replaces the computationally intensive aggregation terms. This separation allows fast and slow subsystems to be handled using tailored modeling strategies, improving numerical stability and simulation speed without compromising accuracy. We embed this hybrid model within a model predictive control (MPC) architecture to manipulate temperature trajectories, enabling independent control of nucleation, growth, and aggregation rates. Our results demonstrate that this framework enables precise regulation of the CSD and shows strong potential for enhancing product uniformity and quality in pharmaceutical crystallization processes.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 376-386"},"PeriodicalIF":3.9,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145787593","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}
Pub Date : 2025-12-09DOI: 10.1016/j.cherd.2025.12.013
Dongjie Yin , Zhuoming Yang , Weiqiu Huang , Xufei Li , Ping Xia , Xiaotong Li , Jing Zhong
Tubular SSZ-13 molecular sieve membranes are effective for hydrogen purification from refinery dry gas, but the technology has not yet been industrialized. Most of the previous studies on gas separation from microporous membranes have used single-mechanism models, such as Knudsen diffusion, surface diffusion, molecular diffusion or pore flow. However, there is a lack of in-depth understanding of the combined effect of multiple mechanisms under different operating conditions (the pressure difference and feed speed). This study develops a theoretical model combining porous flow and adsorption-diffusion, based on CFD simulations. The model integrates active Knudsen diffusion, adsorption-coupled diffusion and porous flow to simulate the separation of light gases (H₂, N₂, CH₄, and C₂H₆) under various conditions. Results show that, H₂ transport is mainly governed by active Knudsen diffusion at 293 K. Through this model, the relative error between predicted and experimental values was reduced to below 10 %, improving simulation accuracy. Hydrogen selectivity is not sensitive to pressure changes at this time. When the feed flow rate is 3–4 m/s, the membrane system is more stable in operation and the separation selectivity of H2 is relatively good. The model provides both accurate mass-transfer predictions and guidance for industrial-scale membrane design and optimization.
{"title":"CFD numerical simulation of refinery hydrogen purification by tubular SSZ-13 molecular sieve membrane","authors":"Dongjie Yin , Zhuoming Yang , Weiqiu Huang , Xufei Li , Ping Xia , Xiaotong Li , Jing Zhong","doi":"10.1016/j.cherd.2025.12.013","DOIUrl":"10.1016/j.cherd.2025.12.013","url":null,"abstract":"<div><div>Tubular SSZ-13 molecular sieve membranes are effective for hydrogen purification from refinery dry gas, but the technology has not yet been industrialized. Most of the previous studies on gas separation from microporous membranes have used single-mechanism models, such as Knudsen diffusion, surface diffusion, molecular diffusion or pore flow. However, there is a lack of in-depth understanding of the combined effect of multiple mechanisms under different operating conditions (the pressure difference and feed speed). This study develops a theoretical model combining porous flow and adsorption-diffusion, based on CFD simulations. The model integrates active Knudsen diffusion, adsorption-coupled diffusion and porous flow to simulate the separation of light gases (H₂, N₂, CH₄, and C₂H₆) under various conditions. Results show that, H₂ transport is mainly governed by active Knudsen diffusion at 293 K. Through this model, the relative error between predicted and experimental values was reduced to below 10 %, improving simulation accuracy. Hydrogen selectivity is not sensitive to pressure changes at this time. When the feed flow rate is 3–4 m/s, the membrane system is more stable in operation and the separation selectivity of H<sub>2</sub> is relatively good. The model provides both accurate mass-transfer predictions and guidance for industrial-scale membrane design and optimization.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"225 ","pages":"Pages 163-176"},"PeriodicalIF":3.9,"publicationDate":"2025-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145734661","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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