Chemical Engineering Research & Design最新文献

英文中文

Enhancing circulation of particles and gases in a biomass-fueled circulating fluidized bed boiler: A pseudo-combustion case study using MFiX-PIC modeling

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-12 DOI: 10.1016/j.cherd.2025.02.005

Ahmet Kececi , Huseyin Topal

This study investigates a circulating fluidized bed steam boiler fueled by biomass from forest wastes in the Marmara Region, Turkey. The gas–solid hydrodynamic structure was investigated both experimentally and numerically to identify existing or potential issues using the MFiX-PIC CFD model. The circulation, facilitated by u-beams acting as impact separators, is governed by pseudo-combustion boundary conditions. The flow direction of secondary air supply nozzles is found to cause problems with water walls and circulation, with gas velocities exceeding 10 m/s. This leads to damage to the water walls and insufficient circulation. Improved hydrodynamics are achieved by adjusting the angles of horizontally positioned secondary air nozzles downward by -20°. This modification results in a slight decrease (-3.77%) in solid particle concentration in the dense phase and a significant increase (+202.69%) in the dilute phase region. Additionally, a discretization scheme study demonstrates that the hybrid composition of the van Leer and Superbee schemes yields a 55.11% faster solution than using Superbee alone and 21.03% faster than using only van Leer. The findings highlight the suitability of the MFiX-PIC model and cost-reducing modeling approaches for industrial-scale steam boiler simulations.

{"title":"Enhancing circulation of particles and gases in a biomass-fueled circulating fluidized bed boiler: A pseudo-combustion case study using MFiX-PIC modeling","authors":"Ahmet Kececi , Huseyin Topal","doi":"10.1016/j.cherd.2025.02.005","DOIUrl":"10.1016/j.cherd.2025.02.005","url":null,"abstract":"<div><div>This study investigates a circulating fluidized bed steam boiler fueled by biomass from forest wastes in the Marmara Region, Turkey. The gas–solid hydrodynamic structure was investigated both experimentally and numerically to identify existing or potential issues using the MFiX-PIC CFD model. The circulation, facilitated by u-beams acting as impact separators, is governed by pseudo-combustion boundary conditions. The flow direction of secondary air supply nozzles is found to cause problems with water walls and circulation, with gas velocities exceeding 10 m/s. This leads to damage to the water walls and insufficient circulation. Improved hydrodynamics are achieved by adjusting the angles of horizontally positioned secondary air nozzles downward by -20°. This modification results in a slight decrease (-3.77%) in solid particle concentration in the dense phase and a significant increase (+202.69%) in the dilute phase region. Additionally, a discretization scheme study demonstrates that the hybrid composition of the van Leer and Superbee schemes yields a 55.11% faster solution than using Superbee alone and 21.03% faster than using only van Leer. The findings highlight the suitability of the MFiX-PIC model and cost-reducing modeling approaches for industrial-scale steam boiler simulations.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 476-493"},"PeriodicalIF":3.7,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143437706","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}

引用次数: 0

Determination of the clogging time for continuous emulsion copolymerization in a tubular reactor using distributed optical fiber sensors

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-11 DOI: 10.1016/j.cherd.2025.02.012

Maria Klippert, Werner Pauer

A non-intrusive method for fouling monitoring using DOFS (Distributed Optical Fiber Sensors) in tubular reactors is presented. The hot spot, caused by the exothermal emulsion polymerization reaction of vinyl acetate and vinyl neodecanoate, was used as a marker to track the fouling progression during the reaction. Due to fouling, the reactor volume was constricted, causing the hot spot to migrate further downstream. This migration was spatially and temporally resolved as a hot spot position-time plot and used describe the time of clogging using mathematical models. From these models, it could be deduced, that the fouling influencing the hot spot is best described by an even constriction of the entire tubular reactor. The mathematical model was able to determine the time of clogging with an accuracy of 0.89–1.28 (with 1 being in perfect agreement with the measured clogging time), starting from 30 min of reaction time. This time is equivalent to 12 % of the entire time of reaction from start to clogging.

引用次数: 0

Removal of 4-nonylphenol using magnetite modified with silica based molecularly imprinted polymers

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-10 DOI: 10.1016/j.cherd.2025.02.007

Raden Tina Rosmalina , Nurrahmi Handayani , Diana Rahayuning Wulan , Ee Ling Yong , Shamila Azman

This study developed and evaluated magnetic molecularly imprinted polymers (MMIPs) for detecting and identifying 4-nonylphenol (NP). The MMIPs were engineered by synthesizing magnetic Fe₃O₄ particles via co-precipitation, resulting in particles with an average size of approximately 204.7 nm. These particles were subsequently modified with silica using a sol-gel process to form Fe₃O₄.SiO₂. The molecular imprinting process involved polymerizing Fe₃O₄.SiO₂ with a mixture that included NP (template molecule), methacrylic acid (functional monomer), azo(bis)isobutyronitrile (initiator), and ethylene glycol dimethacrylate (cross-linker). Characterization techniques, such as FTIR spectroscopy, confirmed the presence of functional groups, indicating successful modification and imprinting. TGA demonstrated thermal stability up to 250°C, validating the robustness of the synthesized MMIPs. The optimal adsorption capacity was identified at pH 9.989, with a maximum adsorption capacity of 5 mg/g, which shows an enhancement over non-imprinted polymers. Isotherm adsorption studies indicated a better fit for the Freundlich model, with an R squared value of 0.98 for MMIPs, suggesting the occurrence of a multilayer adsorption process. Kinetic studies revealed that the MMIPs adhered to the pseudo-second-order kinetic model, confirming their efficiency in NP adsorption. The reusability test demonstrated that the MMIPs maintained a consistent adsorption capacity over three cycles, with a minimal decrease of 5 %.

{"title":"Removal of 4-nonylphenol using magnetite modified with silica based molecularly imprinted polymers","authors":"Raden Tina Rosmalina , Nurrahmi Handayani , Diana Rahayuning Wulan , Ee Ling Yong , Shamila Azman","doi":"10.1016/j.cherd.2025.02.007","DOIUrl":"10.1016/j.cherd.2025.02.007","url":null,"abstract":"<div><div>This study developed and evaluated magnetic molecularly imprinted polymers (MMIPs) for detecting and identifying 4-nonylphenol (NP). The MMIPs were engineered by synthesizing magnetic Fe<sub>3</sub>O<sub>4</sub> particles via co-precipitation, resulting in particles with an average size of approximately 204.7 nm. These particles were subsequently modified with silica using a sol-gel process to form Fe<sub>3</sub>O<sub>4</sub>.SiO<sub>2</sub>. The molecular imprinting process involved polymerizing Fe<sub>3</sub>O<sub>4</sub>.SiO<sub>2</sub> with a mixture that included NP (template molecule), methacrylic acid (functional monomer), azo(bis)isobutyronitrile (initiator), and ethylene glycol dimethacrylate (cross-linker). Characterization techniques, such as FTIR spectroscopy, confirmed the presence of functional groups, indicating successful modification and imprinting. TGA demonstrated thermal stability up to 250°C, validating the robustness of the synthesized MMIPs. The optimal adsorption capacity was identified at pH 9.989, with a maximum adsorption capacity of 5 mg/g, which shows an enhancement over non-imprinted polymers. Isotherm adsorption studies indicated a better fit for the Freundlich model, with an R squared value of 0.98 for MMIPs, suggesting the occurrence of a multilayer adsorption process. Kinetic studies revealed that the MMIPs adhered to the pseudo-second-order kinetic model, confirming their efficiency in NP adsorption. The reusability test demonstrated that the MMIPs maintained a consistent adsorption capacity over three cycles, with a minimal decrease of 5 %.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 361-373"},"PeriodicalIF":3.7,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143386821","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}

引用次数: 0

Hydrodynamics in a stirred tank with a retreat blade impeller: Evaluating the potential of IBM-LES through comparison with PIV data

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-10 DOI: 10.1016/j.cherd.2025.02.009

Seyed Salar Hoseini , Ali Hamieh , Carole Coufort-Saudejaud , Christine Frances , Alain Liné , Jérôme Morchain

This work presents numerical and experimental studies on the turbulent flow in a stirred tank reactor equipped with a two-finger baffle and a retreat blade impeller at Re = 43,200. Numerical results were obtained from Large Eddy Simulation (LES) combined with an Immersed Boundary Method (IBM) for the impeller and baffle representation. The experimental data consists in a set of PIV measurements in a vertical plane containing the shaft axis. The numerical results are compared with experimental data in terms of the flow field, mean velocity components, and kinetic energy. Proper Orthogonal Decomposition (POD) is applied to the IBM-LES results to extract the dominant modes and their time coefficients. The POD analysis suggests that the high energy level found in the upper part of the tank results from an energy transfer from the coherent structures created downstream the two-finger baffle. Finally, the trailing vortices behind the impeller blades and the baffle were detected and visualized using Jeong and Hussain's technique. The results show that IBM-LES is a reliable tool for studying the unsteady characteristics of turbulent flow in agitated tanks with complex geometry.

{"title":"Hydrodynamics in a stirred tank with a retreat blade impeller: Evaluating the potential of IBM-LES through comparison with PIV data","authors":"Seyed Salar Hoseini , Ali Hamieh , Carole Coufort-Saudejaud , Christine Frances , Alain Liné , Jérôme Morchain","doi":"10.1016/j.cherd.2025.02.009","DOIUrl":"10.1016/j.cherd.2025.02.009","url":null,"abstract":"<div><div>This work presents numerical and experimental studies on the turbulent flow in a stirred tank reactor equipped with a two-finger baffle and a retreat blade impeller at Re = 43,200. Numerical results were obtained from Large Eddy Simulation (LES) combined with an Immersed Boundary Method (IBM) for the impeller and baffle representation. The experimental data consists in a set of PIV measurements in a vertical plane containing the shaft axis. The numerical results are compared with experimental data in terms of the flow field, mean velocity components, and kinetic energy. Proper Orthogonal Decomposition (POD) is applied to the IBM-LES results to extract the dominant modes and their time coefficients. The POD analysis suggests that the high energy level found in the upper part of the tank results from an energy transfer from the coherent structures created downstream the two-finger baffle. Finally, the trailing vortices behind the impeller blades and the baffle were detected and visualized using Jeong and Hussain's technique. The results show that IBM-LES is a reliable tool for studying the unsteady characteristics of turbulent flow in agitated tanks with complex geometry.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 419-429"},"PeriodicalIF":3.7,"publicationDate":"2025-02-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419485","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}

引用次数: 0

Study on the matching of adsorption rate and photocatalytic rate under electric field synergy to enhance the degradation performance of cyclohexane

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-07 DOI: 10.1016/j.cherd.2025.02.006

Wei Xu , Cong Zhang , Jiahao Wan , Xinghui Zhang , Yuanda Cheng , Jiaqing Jin , Huimin Zhang , Chengchuan Duan , Yuhao Fang

The mismatch between the adsorption rate and the photocatalytic rate in the degradation of cyclohexane severely limits the degradation efficiency of cyclohexane. In order to improve the performance of adsorption-photocatalysis, this study significantly improved the photocatalytic performance by iron modification and application of uniform electric field. The kinetic equations of adsorption and photocatalysis were fitted by conducting cyclohexane degradation experiments, and then a theoretical model for rate adjustment was constructed. The results show that the surface iron doping in TiO₂ has a high degree of dispersion; the Fe-TiO₂ with ACF as the support has the best homogeneity at 180 ℃; and the Fe-modified TiO₂ has a higher photocurrent, which is about four times the value of the unmodified TiO₂. The pore structure of ACF remained good after the addition of Fe-TiO₂; the optimum uniform electric field applied voltage was 2.0 V. In addition, the rate constants could be expressed in terms of the gas process variables, and the state points with the smallest difference between the adsorption rate and the photocatalytic rate were 68.58 %, 0.31 m/s and 42.44 ppm. This study provides a new avenue of research to improve the performance of adsorption photocatalysis in the degradation of cyclohexane.

{"title":"Study on the matching of adsorption rate and photocatalytic rate under electric field synergy to enhance the degradation performance of cyclohexane","authors":"Wei Xu , Cong Zhang , Jiahao Wan , Xinghui Zhang , Yuanda Cheng , Jiaqing Jin , Huimin Zhang , Chengchuan Duan , Yuhao Fang","doi":"10.1016/j.cherd.2025.02.006","DOIUrl":"10.1016/j.cherd.2025.02.006","url":null,"abstract":"<div><div>The mismatch between the adsorption rate and the photocatalytic rate in the degradation of cyclohexane severely limits the degradation efficiency of cyclohexane. In order to improve the performance of adsorption-photocatalysis, this study significantly improved the photocatalytic performance by iron modification and application of uniform electric field. The kinetic equations of adsorption and photocatalysis were fitted by conducting cyclohexane degradation experiments, and then a theoretical model for rate adjustment was constructed. The results show that the surface iron doping in TiO<sub>2</sub> has a high degree of dispersion; the Fe-TiO<sub>2</sub> with ACF as the support has the best homogeneity at 180 ℃; and the Fe-modified TiO<sub>2</sub> has a higher photocurrent, which is about four times the value of the unmodified TiO<sub>2</sub>. The pore structure of ACF remained good after the addition of Fe-TiO<sub>2</sub>; the optimum uniform electric field applied voltage was 2.0 V. In addition, the rate constants could be expressed in terms of the gas process variables, and the state points with the smallest difference between the adsorption rate and the photocatalytic rate were 68.58 %, 0.31 m/s and 42.44 ppm. This study provides a new avenue of research to improve the performance of adsorption photocatalysis in the degradation of cyclohexane.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 386-397"},"PeriodicalIF":3.7,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143395969","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}

引用次数: 0

Optimized inducer design for transporting air–water two-phase flows in centrifugal pumps: Outperforming traditional inducers

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-05 DOI: 10.1016/j.cherd.2025.01.039

Michael Mansour , Dominique Thévenin

This study investigates the impact of different inducer designs on centrifugal pump performance during air–water two-phase flow pumping. A semi-open impeller with elliptical blades was tested with three configurations: no inducer, a traditional industrial inducer, and a novel optimized inducer. Experiments were conducted at a relevant rotational speed of 1450 rpm. The experimental analysis explores the performance for constant gas volume fraction, constant air flow rate, performance degradation, surging (flow instabilities), and two-phase flow regimes. High-speed cameras captured flow behavior to identify and categorize the flow regimes present during operation for each configuration. The results reveal that the industrial inducer could only provide limited performance improvements at part-load for the gas volume fraction range of 5%–6%. In contrary, the optimized inducer effectively delayed the sharp performance degradation to 7% gas volume fraction. Additionally, it provided almost constant performance near optimal flow conditions, showing a flat behavior up to 7% gas volume fraction. Performance improvements are still noticeable up to 11% air content. While the industrial inducer negatively advanced the onset of pump surging and increased its intensity, the optimized inducer strongly delays pump surging and maintains it at low intensity. The use of the industrial inducer leads to unstable curves for a wide range of flow rates for the performance with constant air flow rate at the inlet. However, the optimized inducer could improve that performance along the entire flow range, with almost no reduction near the optimal flow up to 100 L/min flow of air. The recorded flow regimes show the improved two-phase mixing and higher gas accumulation resistance when using the optimized inducer. Accordingly, the use of such an optimized inducer is highly recommended to keep robust two-phase pumping with minimal flow instabilities. the optimized inducer demonstrates remarkable effectiveness in enhancing pump performance. Based on our own experimental comparisons and findings, these improvements strongly outperform the capabilities of other traditional techniques commonly used to transport two-phase flows, including impeller modifications, tip clearance adjustments, and the use of a standard inducer.

{"title":"Optimized inducer design for transporting air–water two-phase flows in centrifugal pumps: Outperforming traditional inducers","authors":"Michael Mansour , Dominique Thévenin","doi":"10.1016/j.cherd.2025.01.039","DOIUrl":"10.1016/j.cherd.2025.01.039","url":null,"abstract":"<div><div>This study investigates the impact of different inducer designs on centrifugal pump performance during air–water two-phase flow pumping. A semi-open impeller with elliptical blades was tested with three configurations: no inducer, a traditional industrial inducer, and a novel optimized inducer. Experiments were conducted at a relevant rotational speed of 1450 rpm. The experimental analysis explores the performance for constant gas volume fraction, constant air flow rate, performance degradation, surging (flow instabilities), and two-phase flow regimes. High-speed cameras captured flow behavior to identify and categorize the flow regimes present during operation for each configuration. The results reveal that the industrial inducer could only provide limited performance improvements at part-load for the gas volume fraction range of 5%–6%. In contrary, the optimized inducer effectively delayed the sharp performance degradation to 7% gas volume fraction. Additionally, it provided almost constant performance near optimal flow conditions, showing a flat behavior up to 7% gas volume fraction. Performance improvements are still noticeable up to 11% air content. While the industrial inducer negatively advanced the onset of pump surging and increased its intensity, the optimized inducer strongly delays pump surging and maintains it at low intensity. The use of the industrial inducer leads to unstable curves for a wide range of flow rates for the performance with constant air flow rate at the inlet. However, the optimized inducer could improve that performance along the entire flow range, with almost no reduction near the optimal flow up to 100 L/min flow of air. The recorded flow regimes show the improved two-phase mixing and higher gas accumulation resistance when using the optimized inducer. Accordingly, the use of such an optimized inducer is highly recommended to keep robust two-phase pumping with minimal flow instabilities. the optimized inducer demonstrates remarkable effectiveness in enhancing pump performance. Based on our own experimental comparisons and findings, these improvements strongly outperform the capabilities of other traditional techniques commonly used to transport two-phase flows, including impeller modifications, tip clearance adjustments, and the use of a standard inducer.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 342-360"},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143351295","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}

引用次数: 0

New insights of composite collector comprised of kerosene and a non-ionic surfactant for coal gangue flotation decarbonization: Experiment, characterization and molecular dynamics simulation

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-05 DOI: 10.1016/j.cherd.2025.02.002

Zhenzhong Bian , Zhonghang Duan , Qi An , Donghui Yang , Zhicheng Liu

Reasonable and efficient flotation decarbonization of coal gangue is regarded as one of the effective ways to achieve its comprehensive utilization. In this work, the orbital energy difference indicated that composite collector comprised of kerosene and a non-ionic surfactant fatty alcohol polyoxyethylene (9) ether (AEO−9) had the ability to maintain stable adsorption of mineral, and also occurred certain chemical reactivity and the AEO−9 molecule could spontaneously interact with kerosene. The flotation tests were designed and optimized using the response surface methodology under a two-stage opened-circuit flotation process, and a quadratic polynomial model could accurately predict the actual value by the diagnostic analysis. A favorable indicator of carbon content of 72.31 % and carbon recovery rate of 50.84 % for the flotation concentrate was obtained under the conditions of pH 8.5, 15 kg/t composite collector composed of kerosene and 50 mg/L surfactant AEO-9, and 120 g/L slurry concentration. XRD SEM-EDS mapping analysis and contact angle measurement revealed that the coal gangue flotation decarbonization process assisted by the regeneration composite collector could effectively remove impurities and enrich the refined coal into the flotation concentrate. The dynamic behavior of surfactant and diffusion coefficient in the local oil-water interface both showed that the hydrophilic tail chain moieties of AEO-9 molecule were partially insert into the external water phase, exposing a number of polyoxyethylene ether groups in the oil-water interface and possessing a high spreading performance. The dynamic behavior of the coal-oil-water system showed that the AEO-9 molecule was more likely to expel the hydration layer and could be spontaneously adsorbed on the surface of coal particles.

{"title":"New insights of composite collector comprised of kerosene and a non-ionic surfactant for coal gangue flotation decarbonization: Experiment, characterization and molecular dynamics simulation","authors":"Zhenzhong Bian , Zhonghang Duan , Qi An , Donghui Yang , Zhicheng Liu","doi":"10.1016/j.cherd.2025.02.002","DOIUrl":"10.1016/j.cherd.2025.02.002","url":null,"abstract":"<div><div>Reasonable and efficient flotation decarbonization of coal gangue is regarded as one of the effective ways to achieve its comprehensive utilization. In this work, the orbital energy difference indicated that composite collector comprised of kerosene and a non-ionic surfactant fatty alcohol polyoxyethylene (9) ether (AEO−9) had the ability to maintain stable adsorption of mineral, and also occurred certain chemical reactivity and the AEO−9 molecule could spontaneously interact with kerosene. The flotation tests were designed and optimized using the response surface methodology under a two-stage opened-circuit flotation process, and a quadratic polynomial model could accurately predict the actual value by the diagnostic analysis. A favorable indicator of carbon content of 72.31 % and carbon recovery rate of 50.84 % for the flotation concentrate was obtained under the conditions of pH 8.5, 15 kg/t composite collector composed of kerosene and 50 mg/L surfactant AEO-9, and 120 g/L slurry concentration. XRD SEM-EDS mapping analysis and contact angle measurement revealed that the coal gangue flotation decarbonization process assisted by the regeneration composite collector could effectively remove impurities and enrich the refined coal into the flotation concentrate. The dynamic behavior of surfactant and diffusion coefficient in the local oil-water interface both showed that the hydrophilic tail chain moieties of AEO-9 molecule were partially insert into the external water phase, exposing a number of polyoxyethylene ether groups in the oil-water interface and possessing a high spreading performance. The dynamic behavior of the coal-oil-water system showed that the AEO-9 molecule was more likely to expel the hydration layer and could be spontaneously adsorbed on the surface of coal particles.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 329-341"},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143242284","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}

引用次数: 0

A quantitative evaluation of the prediction performance of a one-dimensional multifluid population balance model in continuous and semi-batch bubble columns

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-05 DOI: 10.1016/j.cherd.2025.01.042

Ferdinand Breit, Christina Zipp, Christian Weibel, Erik von Harbou

The objective of this study was to evaluate the efficacy of a one-dimensional multifluid population balance model (1D-MPB) in predicting the axial variation of the bubble size distribution (BSD), gas phase velocity, and gas volume fraction in a bubble column. The bubble column was operated in either a semi-batch mode, without liquid feed, or a continuous mode, with co-current liquid and gas feed. The model’s predictions were compared with experimental data obtained through minimal invasive fiber optic needle probes. The experiments were carried out with different spargers and varying gas and liquid fluxes. The model parameters were previously determined in a different study. The findings indicate that the model accurately predicts the BSD, Sauter mean diameter and local gas volume fractions, particularly at medium gas fluxes in semi-batch mode. The application of a modified sparger model to predict inlet BSDs demonstrated potential, although limitations were observed at higher fluxes. In continuous co-current mode, the model (parameterized with data from semi-batch experiments), exhibited robust prediction performance without the need for recalibration, indicating the soundness of the underlying physical principles and the value of the method for scale-up. The mean absolute percentage error for the Sauter mean diameter and for the local gas volume fraction was about 10 %, depending on the mode of operation, type of sparger, fluid inlet flux and source of the inlet BSD (experimental or from the sparger model), and in many cases significantly less. Future work will focus on refining the turbulent energy dissipation model to enhance the model’s accuracy and applicability for industrial bubble column design and optimization.

{"title":"A quantitative evaluation of the prediction performance of a one-dimensional multifluid population balance model in continuous and semi-batch bubble columns","authors":"Ferdinand Breit, Christina Zipp, Christian Weibel, Erik von Harbou","doi":"10.1016/j.cherd.2025.01.042","DOIUrl":"10.1016/j.cherd.2025.01.042","url":null,"abstract":"<div><div>The objective of this study was to evaluate the efficacy of a one-dimensional multifluid population balance model (1D-MPB) in predicting the axial variation of the bubble size distribution (BSD), gas phase velocity, and gas volume fraction in a bubble column. The bubble column was operated in either a semi-batch mode, without liquid feed, or a continuous mode, with co-current liquid and gas feed. The model’s predictions were compared with experimental data obtained through minimal invasive fiber optic needle probes. The experiments were carried out with different spargers and varying gas and liquid fluxes. The model parameters were previously determined in a different study. The findings indicate that the model accurately predicts the BSD, Sauter mean diameter and local gas volume fractions, particularly at medium gas fluxes in semi-batch mode. The application of a modified sparger model to predict inlet BSDs demonstrated potential, although limitations were observed at higher fluxes. In continuous co-current mode, the model (parameterized with data from semi-batch experiments), exhibited robust prediction performance without the need for recalibration, indicating the soundness of the underlying physical principles and the value of the method for scale-up. The mean absolute percentage error for the Sauter mean diameter and for the local gas volume fraction was about 10 %, depending on the mode of operation, type of sparger, fluid inlet flux and source of the inlet BSD (experimental or from the sparger model), and in many cases significantly less. Future work will focus on refining the turbulent energy dissipation model to enhance the model’s accuracy and applicability for industrial bubble column design and optimization.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 430-442"},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143419486","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}

引用次数: 0

Underlying laws governing the saponification and crystallization separation of free lutein from marigold oleoresin

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-05 DOI: 10.1016/j.cherd.2025.02.004

Naiying Wu , Wei Gao , Haibo He , Di Wu , Jingwei Peng , Xiaodong An

There is an increasing demand for natural lutein compared to artificial ones, driven by a preference for natural and healthy lifestyles. However, the unclear potential processes for producing free lutein limit its production and impede further industrial development. This paper systematically investigates the saponification and crystallization processes for separating free lutein from marigold oleoresin, including the kinetics of the saponification process, changes in free lutein, fatty acid, and carotenoid content during saponification, as well as the characterization of the resulting crystals. The results demonstrate that the hydrolysis of lutein esters follows a second-order reaction. Additionally, the presence of impurities in marigold oleoresin enhances lutein production. The saponification of fatty acid esters occurs prior to that of lutein esters, resulting in the formation of larger hexagonal crystals from marigold oleoresin. Under optimal conditions, a lutein purity of 90.20 % was achieved. This study provides theoretical guidance for lutein production from marigold oleoresin.

{"title":"Underlying laws governing the saponification and crystallization separation of free lutein from marigold oleoresin","authors":"Naiying Wu , Wei Gao , Haibo He , Di Wu , Jingwei Peng , Xiaodong An","doi":"10.1016/j.cherd.2025.02.004","DOIUrl":"10.1016/j.cherd.2025.02.004","url":null,"abstract":"<div><div>There is an increasing demand for natural lutein compared to artificial ones, driven by a preference for natural and healthy lifestyles. However, the unclear potential processes for producing free lutein limit its production and impede further industrial development. This paper systematically investigates the saponification and crystallization processes for separating free lutein from marigold oleoresin, including the kinetics of the saponification process, changes in free lutein, fatty acid, and carotenoid content during saponification, as well as the characterization of the resulting crystals. The results demonstrate that the hydrolysis of lutein esters follows a second-order reaction. Additionally, the presence of impurities in marigold oleoresin enhances lutein production. The saponification of fatty acid esters occurs prior to that of lutein esters, resulting in the formation of larger hexagonal crystals from marigold oleoresin. Under optimal conditions, a lutein purity of 90.20 % was achieved. This study provides theoretical guidance for lutein production from marigold oleoresin.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 374-385"},"PeriodicalIF":3.7,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143386822","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}

引用次数: 0

Bayesian calibration of bubble size dynamics applied to CO2 gas fermenters

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-02-03 DOI: 10.1016/j.cherd.2025.01.034

Malik Hassanaly, John M. Parra-Alvarez, Mohammad J. Rahimi, Federico Municchi, Hariswaran Sitaraman

To accelerate the scale-up of gaseous CO₂ fermentation reactors, computational models need to predict gas-to-liquid mass transfer which requires capturing the bubble size dynamics, i.e. bubble breakup and coalescence. However, the applicability of existing models beyond air–water mixtures remains to be established. Here, an inverse modeling approach, accelerated with a neural network surrogate, calibrates the breakup and coalescence closure models, that are used in class methods for population balance modeling (PBM). The calibration is performed based on experimental results obtained in a CO₂-air–water-coflowing bubble column reactor. Bayesian inference is used to account for noise in the experimental dataset and bias in the simulation results. To accurately capture gas holdup and interphase mass transfer, the results show that the breakage rate needs to be increased by one order of magnitude. The inferred model parameters are then used on a separate configuration and shown to also improve bubble size distribution predictions.

{"title":"Bayesian calibration of bubble size dynamics applied to CO2 gas fermenters","authors":"Malik Hassanaly, John M. Parra-Alvarez, Mohammad J. Rahimi, Federico Municchi, Hariswaran Sitaraman","doi":"10.1016/j.cherd.2025.01.034","DOIUrl":"10.1016/j.cherd.2025.01.034","url":null,"abstract":"<div><div>To accelerate the scale-up of gaseous CO<sub>2</sub> fermentation reactors, computational models need to predict gas-to-liquid mass transfer which requires capturing the bubble size dynamics, i.e. bubble breakup and coalescence. However, the applicability of existing models beyond air–water mixtures remains to be established. Here, an inverse modeling approach, accelerated with a neural network surrogate, calibrates the breakup and coalescence closure models, that are used in class methods for population balance modeling (PBM). The calibration is performed based on experimental results obtained in a CO<sub>2</sub>-air–water-coflowing bubble column reactor. Bayesian inference is used to account for noise in the experimental dataset and bias in the simulation results. To accurately capture gas holdup and interphase mass transfer, the results show that the breakage rate needs to be increased by one order of magnitude. The inferred model parameters are then used on a separate configuration and shown to also improve bubble size distribution predictions.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"215 ","pages":"Pages 312-328"},"PeriodicalIF":3.7,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143242280","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}

引用次数: 0

下一页尾页

类型

全部化学•材料生命科学医学物理工程技术环境•农林材料科学地球科学法学管理学化学环境科学与生态学计算机科学教育学经济学农林科学人文科学生物学数学物理与天体物理心理学综合性期刊其他工业工程理学历史学农学文学信息工程

数据库

全部 ACS Publications Elsevier ieeexplore Springer The Royal Society of Chemistry Wiley

期刊

Chemical Engineering Research & Design

全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.

﹀