Pub Date : 2025-01-25DOI: 10.1016/j.jiec.2024.07.014
Humaira Rashid Khan, Abdul Latif Ahmad
Supercapacitors, bridging conventional capacitors and batteries, promise efficient energy storage. Yet, challenges hamper widespread adoption. This review assesses energy density limits, costs, materials, and scalability barriers. It examines key factors affecting energy density: electrode properties, pseudocapacitive mechanisms, voltage windows, and electrolytes. Cost considerations encompass materials, manufacturing processes, and scaling challenges, emphasizing the need for cost-effective solutions. The review scrutinizes intricate materials and manufacturing hurdles, including electrode design, electrolyte formulation, and scalable fabrication techniques. Recent advances in novel electrode materials, designs, recycling methods, and fabrication technologies are highlighted. Integration with emerging technologies like 3D printing suggests transformative potential for energy storage. By outlining challenges and recent progress, this review charts a path toward efficient, economical, and scalable supercapacitor technology for next-generation energy systems.
{"title":"Supercapacitors: Overcoming current limitations and charting the course for next-generation energy storage","authors":"Humaira Rashid Khan, Abdul Latif Ahmad","doi":"10.1016/j.jiec.2024.07.014","DOIUrl":"10.1016/j.jiec.2024.07.014","url":null,"abstract":"<div><div>Supercapacitors, bridging conventional capacitors and batteries, promise efficient energy storage. Yet, challenges hamper widespread adoption. This review assesses energy density limits, costs, materials, and scalability barriers. It examines key factors affecting energy density: electrode properties, pseudocapacitive mechanisms, voltage windows, and electrolytes. Cost considerations encompass materials, manufacturing processes, and scaling challenges, emphasizing the need for cost-effective solutions. The review scrutinizes intricate materials and manufacturing hurdles, including electrode design, electrolyte formulation, and scalable fabrication techniques. Recent advances in novel electrode materials, designs, recycling methods, and fabrication technologies are highlighted. Integration with emerging technologies like 3D printing suggests transformative potential for energy storage. By outlining challenges and recent progress, this review charts a path toward efficient, economical, and scalable supercapacitor technology for next-generation energy systems.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 46-66"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141843725","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 : 2025-01-25DOI: 10.1016/j.jiec.2024.07.051
Hui Han , Jiangshuai Yan , Yuxing Li , Jianlu Zhu , Yunfei Wang , Ruidong Jing , Yiran Hu
Rotating Packed Bed (RPB), as a representative equipment of hyper-gravity technology, is widely used in process intensification of various reactions and separations. This paper constructs a three-dimensional CFD model of RPB by employing the porous media Eulerian two-fluid method, coupling mass transfer, heat transfer, and chemical reaction models. The CFD model successfully simulated the CO2 absorption process by MEA solution within the RPB, with the simulation results aligning well with both experimental and calculation data. The CFD model predicts the overall gas phase mass transfer coefficient (KGa) range of 1.876 to 3.029 s−1, while experimental data fall within the range of 1.7 to 2.4 s−1, with deviations ranging from 1.70 % to 26.2 %. Detailed distributions of flow and mass transfer parameters within the packing were obtained, and a quantitative analysis was conducted on the impact of different operating parameters on mass transfer and decarbonization performance. The KGa and CO2 removal rate first increase (400 ∼ 1500 rpm) and then stabilize (1500 ∼ 2500 rpm) with the increase of rotational speed. The correlation to predict overall gas phase mass transfer coefficient was developed, and the calculated values are in agreement with the simulated values with deviations within ± 26 %. This work provides a novel and practical approach to designing and optimizing processes for RPB in engineering applications.
{"title":"Simulating the reaction absorption of carbon dioxide by MEA aqueous solution in the RPB using three-dimensional Eulerian porous media approach","authors":"Hui Han , Jiangshuai Yan , Yuxing Li , Jianlu Zhu , Yunfei Wang , Ruidong Jing , Yiran Hu","doi":"10.1016/j.jiec.2024.07.051","DOIUrl":"10.1016/j.jiec.2024.07.051","url":null,"abstract":"<div><div>Rotating Packed Bed (RPB), as a representative equipment of hyper-gravity technology, is widely used in process intensification of various reactions and separations. This paper constructs a three-dimensional CFD model of RPB by employing the porous media Eulerian two-fluid method, coupling mass transfer, heat transfer, and chemical reaction models. The CFD model successfully simulated the CO<sub>2</sub> absorption process by MEA solution within the RPB, with the simulation results aligning well with both experimental and calculation data. The CFD model predicts the overall gas phase mass transfer coefficient (<em>K<sub>G</sub>a</em>) range of 1.876 to 3.029 s<sup>−1</sup>, while experimental data fall within the range of 1.7 to 2.4 s<sup>−1</sup>, with deviations ranging from 1.70 % to 26.2 %. Detailed distributions of flow and mass transfer parameters within the packing were obtained, and a quantitative analysis was conducted on the impact of different operating parameters on mass transfer and decarbonization performance. The <em>K<sub>G</sub>a</em> and CO<sub>2</sub> removal rate first increase (400 ∼ 1500 rpm) and then stabilize (1500 ∼ 2500 rpm) with the increase of rotational speed. The correlation to predict overall gas phase mass transfer coefficient was developed, and the calculated values are in agreement with the simulated values with deviations within ± 26 %. This work provides a novel and practical approach to designing and optimizing processes for RPB in engineering applications.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 610-625"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141931257","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 widespread use of fluoroquinolone antibiotics, such as ofloxacin (OFL), has led to their unintended presence in aquatic environments. The removal of OFL from water bodies is crucial to mitigate the spread of antibiotic resistance. In this work, palladium nanoparticles supported on MXene/metal organic framework (Pd/MXOF) nanocomposite was successfully prepared via a green approach and then employed as a novel catalyst material for the photocatalytic degradation of OFL. The Pd/MXOF sample demonstrates improved absorption in the visible region in contrast to MXOF samples, possibly attributed to better electronic transfer at catalyst surface. According to experimental results, a higher photocatalytic activity was obtained for Pd/MXOF catalyst in comparison with MXene, MIL-101(Fe), and MXOF substances. Excellent photodegradation efficiency (∼100 %) of OFL after 30 min irradiation of visible light was obtained using Pd/MXOF. The effectiveness degradation of OFL through the suggested photocatalysis process was dependent on the initial concentration of OFL, catalyst dosage, and solution pH value. Following four cycles, the photocatalyst exhibited acceptable stability and reusability. The key roles of hole (h+) and •O2− radical in the photocatalytic reaction were elucidated by the active species trapping studies. This work may provide a very potent strategy to photodegrade antibiotic pollutants in contaminated waters.
{"title":"Green decoration of Pd nanoparticles on MXene/metal organic framework support for photocatalytic degradation of ofloxacin","authors":"Saeideh Eslaminejad , Rahmatollah Rahimi , Maryam Fayazi","doi":"10.1016/j.jiec.2024.06.020","DOIUrl":"10.1016/j.jiec.2024.06.020","url":null,"abstract":"<div><div><span>The widespread use of fluoroquinolone antibiotics, such as ofloxacin (OFL), has led to their unintended presence in aquatic environments. The removal of OFL from water bodies is crucial to mitigate the spread of antibiotic resistance. In this work, palladium nanoparticles<span> supported on MXene/metal organic framework (Pd/MXOF) nanocomposite was successfully prepared via a green approach and then employed as a novel catalyst material for the photocatalytic degradation of OFL. The Pd/MXOF sample demonstrates improved absorption in the visible region in contrast to MXOF samples, possibly attributed to better electronic transfer at catalyst surface. According to experimental results, a higher photocatalytic activity was obtained for Pd/MXOF catalyst in comparison with MXene, MIL-101(Fe), and MXOF substances. Excellent photodegradation efficiency (∼100 %) of OFL after 30 min irradiation of visible light was obtained using Pd/MXOF. The effectiveness degradation of OFL through the suggested photocatalysis process was dependent on the initial concentration of OFL, catalyst dosage, and solution pH value. Following four cycles, the photocatalyst exhibited acceptable stability and reusability. The key roles of hole (h</span></span><sup>+</sup>) and •O<sub>2</sub><sup>−</sup> radical in the photocatalytic reaction were elucidated by the active species trapping studies. This work may provide a very potent strategy to photodegrade antibiotic pollutants in contaminated waters.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 94-103"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141401535","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 : 2025-01-25DOI: 10.1016/j.jiec.2024.06.023
Hassanien Gomaa , Cuihua An , Qibo Deng , Hamud A. Altaleb , Sobhi M. Gomha , Tariq Z. Abolibda , Mohamed A. Shenashen , Ning Hu
Here, a hybrid mesoporous sheets-like nano-catalyst was used to investigate the degradation of Congo Red (CR) dye. The photocatalytic efficiency of CR dye degradation was evaluated using a variety of mesoporous hybrid materials containing P,S,N-doped carbon (PC1), Co3O4@P,S,N-doped carbon (PC2), NiO@P,S,N-doped carbon (PC3), and NiCo2O4@P,S,N-doped carbon (PC4) sheet-like. The results indicated that the PC4 nano-catalyst exhibited exceptional efficacy in the photocatalytic degradation of CR dye, achieving a degradation efficiency exceeding 99 %. The results also showed that PC4 possessed a band gap of 1.7 eV. To formulate an effective photodegradation system, Analysis of Variance (ANOVA), a valuable statistical method, was employed to examine how varying pH, PC dose, and irradiation time can improve the photodegradation performance. Influential key parameters, including pH, PC dose, irradiation time, and CR concentration, were optimized through response surface methodology applying a four-factor, three-level Box-Behnken design (BBD). To achieve a 99 % decolorization of CR, the optimum conditions were determined to be pH 3.8, PC dose at 14 mg, irradiation time of 10.2 min, and CR concentration of 14.3 ppm. Kinetic models demonstrated that CR degradation followed pseudo-first-order kinetics. Moreover, band gap comparisons, scavenger analysis, and density functional theory (DFT) were used to discuss the CR degradation mechanism.
{"title":"A hybrid mesoporous sheet-like NiCo2O4@P,S,N-doped carbon nano-photocatalyst for efficient synergistic degradation of Congo red: Statistical, DFT and mechanism studies","authors":"Hassanien Gomaa , Cuihua An , Qibo Deng , Hamud A. Altaleb , Sobhi M. Gomha , Tariq Z. Abolibda , Mohamed A. Shenashen , Ning Hu","doi":"10.1016/j.jiec.2024.06.023","DOIUrl":"10.1016/j.jiec.2024.06.023","url":null,"abstract":"<div><div><span>Here, a hybrid mesoporous<span> sheets-like nano-catalyst was used to investigate the degradation of Congo Red (CR) dye. The photocatalytic<span> efficiency of CR dye degradation<span> was evaluated using a variety of mesoporous hybrid materials containing P,S,N-doped carbon (PC1), Co</span></span></span></span><sub>3</sub>O<sub>4</sub>@P,S,N-doped carbon (PC2), NiO@P,S,N-doped carbon (PC3), and NiCo<sub>2</sub>O<sub>4</sub><span>@P,S,N-doped carbon (PC4) sheet-like. The results indicated that the PC4 nano-catalyst exhibited exceptional efficacy in the photocatalytic degradation<span> of CR dye, achieving a degradation efficiency exceeding 99 %. The results also showed that PC4 possessed a band gap of 1.7 eV. To formulate an effective photodegradation<span><span><span> system, Analysis of Variance (ANOVA), a valuable statistical method, was employed to examine how varying pH, </span>PC<span> dose, and irradiation time can improve the photodegradation performance. Influential key parameters, including pH, PC dose, irradiation time, and CR concentration, were optimized through </span></span>response surface methodology<span><span> applying a four-factor, three-level Box-Behnken design (BBD). To achieve a 99 % decolorization of CR, the optimum conditions were determined to be pH 3.8, PC dose at 14 mg, irradiation time of 10.2 min, and CR concentration of 14.3 ppm. </span>Kinetic models<span> demonstrated that CR degradation followed pseudo-first-order kinetics. Moreover, band gap comparisons, scavenger analysis, and density functional theory (DFT) were used to discuss the CR degradation mechanism.</span></span></span></span></span></div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 130-144"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141518080","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 : 2025-01-25DOI: 10.1016/j.jiec.2024.06.038
Lili Wang , Wei Mu , Yufeng Liu , Xin Wang , Xianliang Zheng
The antibacterial activity of reduced graphene oxide fibers (rGOFs) fabricated by a one-step dimensionally confined hydrothermal technique was investigated on both Gram-positive and Gram-negative models of bacteria in this study. The surface morphology, microstructure, and chemical composition of the as-prepared rGOFs were determined using scanning electron microscopy (SEM), X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. SEM images showed the fiber to have an average diameter of 46.6 ± 0.53 μm, composed of rGO nanosheets with numerous sharp edges. XPS and Raman spectroscopy confirmed the presence of sp3-bonded carbon and structural defects in the samples. Antibacterial properties of rGOFs were tested and analyzed using agar well diffusion, colony counting method, SEM observation, and reactive oxygen species generation. The excellent broad-spectrum antibacterial ability of rGOFs is attributed to the physicochemical properties and unique surface morphological features of the samples, which could facilitate the development of rGOFs-based biomaterial for various biomedical and nano-technological applications such as a promising antibacterial agent or an implant/scaffold for nerve tissue engineering and regeneration.
{"title":"Antibacterial properties of reduced graphene oxide fibers fabricated by hydrothermal method","authors":"Lili Wang , Wei Mu , Yufeng Liu , Xin Wang , Xianliang Zheng","doi":"10.1016/j.jiec.2024.06.038","DOIUrl":"10.1016/j.jiec.2024.06.038","url":null,"abstract":"<div><div><span>The antibacterial activity<span> of reduced graphene oxide fibers (rGOFs) fabricated by a one-step dimensionally confined hydrothermal technique was investigated on both Gram-positive and Gram-negative models of bacteria in this study. The surface morphology, microstructure, and chemical composition of the as-prepared rGOFs were determined using scanning electron microscopy (SEM), X-ray diffraction, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy (XPS), and Raman spectroscopy. SEM images showed the fiber to have an average diameter of 46.6 ± 0.53 μm, composed of rGO nanosheets with numerous sharp edges. XPS and Raman spectroscopy confirmed the presence of </span></span><em>sp</em><sup>3</sup>-bonded carbon and structural defects in the samples. Antibacterial properties of rGOFs were tested and analyzed using agar well diffusion, colony counting method, SEM observation, and reactive oxygen species generation. The excellent broad-spectrum antibacterial ability of rGOFs is attributed to the physicochemical properties and unique surface morphological features of the samples, which could facilitate the development of rGOFs-based biomaterial for various biomedical and nano-technological applications such as a promising antibacterial agent or an implant/scaffold for nerve tissue engineering and regeneration.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 297-304"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141569154","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 : 2025-01-25DOI: 10.1016/j.jiec.2024.07.012
Hee Won Son , Da In Kim , Ji Hun Kim , Thi Na Le , Yun-Hi Kim , Min Chul Suh
To achieve very high efficiency in solution-processed organic light emitting diodes (OLEDs), one promising and trailblazing approach is the utilization of the phosphor sensitized fluorescence (PSF) mechanism. In our study, we successfully apply this mechanism to fabricate highly efficient blue solution-processed device by introducing novel structured platinum (Pt) complex as a phosphorescent sensitizer. The significant spectral overlap between the sensitizer and final dopant (JF), with a JF value of 14.83 × 1014 nm4 M−1 cm−1, enables high rates of energy transfer and results in a moderately high external quantum efficiency, with the device displaying (0.12, 0.12) color coordinates while achieving a notable 9.68 % external quantum efficiency. The system is particularly promising for designing OLEDs with sub-microsecond radiation decay times. Additionally, the PSF emitter exhibits ultrapure blue emission, with a narrow full-width half maximum of 16 nm from photoluminescence and 18 nm from electroluminescence. Moreover, the radial distributions of EML molecules at different annealing temperatures were investigated, showing the absence of molecular aggregation, ensuring a smooth surface for the solution device. These findings highlight the promising potential of employing the PSF mechanism along with a stable interfacial layer to achieve remarkable performance in solution-processed OLED devices.
{"title":"Initial exploration of solution-processed ultrapure blue organic light emitting diodes utilizing phosphorescent Pt complex and MR-TADF emitters","authors":"Hee Won Son , Da In Kim , Ji Hun Kim , Thi Na Le , Yun-Hi Kim , Min Chul Suh","doi":"10.1016/j.jiec.2024.07.012","DOIUrl":"10.1016/j.jiec.2024.07.012","url":null,"abstract":"<div><div><span>To achieve very high efficiency in solution-processed organic light emitting diodes<span> (OLEDs), one promising and trailblazing approach is the utilization of the phosphor sensitized fluorescence (PSF) mechanism. In our study, we successfully apply this mechanism to fabricate highly efficient blue solution-processed device by introducing novel structured platinum (Pt) complex as a phosphorescent sensitizer. The significant spectral overlap between the sensitizer and final dopant (J</span></span><sub>F</sub>), with a J<sub>F</sub> value of 14.83 × 10<sup>14</sup> nm<sup>4</sup> M<sup>−1</sup> cm<sup>−1</sup><span><span>, enables high rates of energy transfer and results in a moderately high external quantum efficiency, with the device displaying (0.12, 0.12) color coordinates while achieving a notable 9.68 % external quantum efficiency. The system is particularly promising for designing OLEDs with sub-microsecond radiation decay times. Additionally, the PSF emitter exhibits ultrapure blue emission, with a narrow full-width half maximum of 16 nm from photoluminescence and 18 nm from </span>electroluminescence. Moreover, the radial distributions of EML molecules at different annealing temperatures were investigated, showing the absence of molecular aggregation, ensuring a smooth surface for the solution device. These findings highlight the promising potential of employing the PSF mechanism along with a stable interfacial layer to achieve remarkable performance in solution-processed OLED devices.</span></div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 512-520"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141695189","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 : 2025-01-25DOI: 10.1016/j.jiec.2024.07.013
Yongsu Park , Debabrata Chakraborty , Eun-Bum Cho
Two mesoporous nickel phyllosilicate (Ni-PS) samples with Ni/Si ratios of 0.3 and 1 were used to compare high-temperature hydrothermal stability. The Ni-PS structures have well-developed porosity and pore size distributions mainly ranging from 2 to 20 nm. To assess their hydrothermal resistance as a reusable heterogeneous catalyst in high-temperature reactions, the samples were exposed to 800 °C for 7 days using steam-supplied muffle furnaces. Three types of mesoporous silica samples (i.e. MCM-41, SBA-15, and mesoporous benzene-silica) and two zeolites (i.e. ZSM-5 and zeolite-Y) were compared under the same conditions. The hydrothermal resistance was primarily confirmed based on changes in pore size distribution and surface area through nitrogen-sorption isotherm analysis. The crystal structure and the binding energy of each sample were investigated by X-ray diffraction and X-ray photoelectron spectroscopy measurements. The Ni-PS structures displayed excellent stability (i.e. BET surface area retained over 77 % and 65 % after 1-d and 7-d treatment, respectively.) compared with other mesoporous samples, and even higher stability than zeolite Y. In addition, structural stability at pH = 10 is much higher than that of ZSM-5. This suggests that it could be used for various catalytic chemical reactions including hydrogenation and cracking processes because NiO and Ni nanoparticles are uniformly distributed on the surface, maintaining their particle shape even after a reduction process.
{"title":"Highly stable mesoporous Ni-phyllosilicate particle under high temperature hydrothermal and base conditions towards industrial catalytic applications","authors":"Yongsu Park , Debabrata Chakraborty , Eun-Bum Cho","doi":"10.1016/j.jiec.2024.07.013","DOIUrl":"10.1016/j.jiec.2024.07.013","url":null,"abstract":"<div><div>Two mesoporous nickel phyllosilicate<span> (Ni-PS) samples with Ni/Si ratios of 0.3 and 1 were used to compare high-temperature hydrothermal stability. The Ni-PS structures have well-developed porosity and pore size distributions mainly ranging from 2 to 20 nm. To assess their hydrothermal resistance as a reusable heterogeneous catalyst in high-temperature reactions, the samples were exposed to 800 °C for 7 days using steam-supplied muffle furnaces. Three types of mesoporous silica samples (i.e. MCM-41, SBA-15, and mesoporous benzene-silica) and two zeolites (i.e. ZSM-5 and zeolite-Y) were compared under the same conditions. The hydrothermal resistance was primarily confirmed based on changes in pore size distribution and surface area through nitrogen-sorption isotherm analysis. The crystal structure and the binding energy of each sample were investigated by X-ray diffraction and X-ray photoelectron spectroscopy measurements. The Ni-PS structures displayed excellent stability (i.e. BET surface area retained over 77 % and 65 % after 1-d and 7-d treatment, respectively.) compared with other mesoporous samples, and even higher stability than zeolite Y. In addition, structural stability at pH = 10 is much higher than that of ZSM-5. This suggests that it could be used for various catalytic chemical reactions including hydrogenation and cracking processes because NiO and Ni nanoparticles are uniformly distributed on the surface, maintaining their particle shape even after a reduction process.</span></div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 521-539"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141699627","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 : 2025-01-25DOI: 10.1016/j.jiec.2024.07.018
Wonjun Noh , Sihwan Park , Sojung Kim , Inkyu Lee
Artificial intelligence (AI) has recently gained prominence for addressing complex problems in chemical plants. Despite its enthusiastic attention, the industrial application of AI is limited due to a lack of both reliability and diversity in its operation data at the plant scale. To address this issue, a framework that integrates the machine learning (ML) model and first-principles approach is proposed herein. The performance of the proposed framework is demonstrated by its application to the control system of the liquefied natural gas fuel gas supply system. In this framework, commercial simulation software was used to implement a high-accuracy first-principles model using operation data. Thereafter, a wide range of data was generated that cannot be obtained in an industrial plant. The generated data was fed to the ML model that predicted the control performance with variations of the control parameters. The ML model, built with high-quality data, can predict the control performance with high accuracy. The optimal control parameters were quickly found using the ML model, thereby improving the control performance. This study presents a solution that can overcome the limitations of using an ML model alone by exploiting the advantages of both the first-principles and data-driven approaches at the plant scale.
{"title":"A hybrid framework of first-principles model and machine learning for optimizing control parameters in chemical processes","authors":"Wonjun Noh , Sihwan Park , Sojung Kim , Inkyu Lee","doi":"10.1016/j.jiec.2024.07.018","DOIUrl":"10.1016/j.jiec.2024.07.018","url":null,"abstract":"<div><div>Artificial intelligence (AI) has recently gained prominence for addressing complex problems in chemical plants. Despite its enthusiastic attention, the industrial application of AI is limited due to a lack of both reliability and diversity in its operation data at the plant scale. To address this issue, a framework that integrates the machine learning (ML) model and first-principles approach is proposed herein. The performance of the proposed framework is demonstrated by its application to the control system of the liquefied natural gas fuel gas supply system. In this framework, commercial simulation software was used to implement a high-accuracy first-principles model using operation data. Thereafter, a wide range of data was generated that cannot be obtained in an industrial plant. The generated data was fed to the ML model that predicted the control performance with variations of the control parameters. The ML model, built with high-quality data, can predict the control performance with high accuracy. The optimal control parameters were quickly found using the ML model, thereby improving the control performance. This study presents a solution that can overcome the limitations of using an ML model alone by exploiting the advantages of both the first-principles and data-driven approaches at the plant scale.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 582-596"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141704934","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 degradation of persistent and refractory pollutants particularly antibiotics from drugs and pharmaceuticals wastewater remains challenging due to their high toxicity. Herein, a hybrid system CuxFe1-xZnO − layer double oxide (LDO)/PMS/US designed for the degradation of ofloxacin (OFC) and total organic carbon (TOC) from drugs and pharmaceuticals wastewater. Catalyst 0.4CFZ-LDO exhibited a remarkable catalytic activity for OFC (98.76 %, 0.0703 min−1) and TOC (76.97 %, 0.0259 min−1) removal, with synergistic index value (OFC, 3.45) and (TOC, 1.69) under the optimum conditions. The quenching experimental study reveals that sulfate radical (SO4•−) was dominant reactive oxygen species (ROS) for OFC and TOC removal. Density functional theory (DFT) demonstrates that strong attacking sites on the OFC structure were C14, C15 and C23 due to high concentration of Fukui index. Based on the as quantitative structure–activity relationship (QSAR) prediction model system 0.4CFZ-LDO/PMS/US potentially reduced the bio-toxicity (acute toxicity, mutagenicity, bioaccumulation factor) after treatment. Furthermore, catalyst 0.4CFZ-LDO demonstrated remarkable stability with minor leaching of metal ions. Critical contribution of Fe3+/Fe2+ and Cu2+/Cu+ surface catalyzed-redox cycle was evaluated with the help of X-ray photoelectron spectroscopy (XPS) analysis. Furthermore, six potential routes of OFC degradation were proposed based on the DFT study, and intermediates were identified by GC–MS analysis. Based on the electrical energy per order (EEO) analysis, economic cost of pharmaceutical wastewater was estimated to be $0.059/L.
{"title":"Ultrasound-induced PMS activation for ofloxacin degradation from pharmaceuticals wastewater: DFT calculation, mechanisms and toxicity evolution","authors":"Arvind Kumar , Radha Devi Pyarasani , Abdul Gaffar Sheik , Basheswer Prasad , Sheena Kumari , Faizal Bux","doi":"10.1016/j.jiec.2024.06.046","DOIUrl":"10.1016/j.jiec.2024.06.046","url":null,"abstract":"<div><div>The degradation of persistent and refractory pollutants particularly antibiotics from drugs and pharmaceuticals wastewater remains challenging due to their high toxicity. Herein, a hybrid system Cu<sub>x</sub>Fe<sub>1-x</sub>ZnO − layer double oxide (LDO)/PMS/US designed for the degradation of ofloxacin (OFC) and total organic carbon (TOC) from drugs and pharmaceuticals wastewater. Catalyst 0.4CFZ-LDO exhibited a remarkable catalytic activity for OFC (98.76 %, 0.0703 min<sup>−1</sup>) and TOC (76.97 %, 0.0259 min<sup>−1</sup>) removal, with synergistic index value (OFC, 3.45) and (TOC, 1.69) under the optimum conditions. The quenching experimental study reveals that sulfate radical (SO<sub>4</sub><sup>•−</sup>) was dominant reactive oxygen species (ROS) for OFC and TOC removal. Density functional theory (DFT) demonstrates that strong attacking sites on the OFC structure were C14, C15 and C23 due to high concentration of Fukui index. Based on the as quantitative structure–activity relationship (QSAR) prediction model system 0.4CFZ-LDO/PMS/US potentially reduced the bio-toxicity (acute toxicity, mutagenicity, bioaccumulation factor) after treatment. Furthermore, catalyst 0.4CFZ-LDO demonstrated remarkable stability with minor leaching of metal ions. Critical contribution of Fe<sup>3+</sup>/Fe<sup>2+</sup> and Cu<sup>2+</sup>/Cu<sup>+</sup> surface catalyzed-redox cycle was evaluated with the help of X-ray photoelectron spectroscopy (XPS) analysis. Furthermore, six potential routes of OFC degradation were proposed based on the DFT study, and intermediates were identified by GC–MS analysis. Based on the electrical energy per order (EEO) analysis, economic cost of pharmaceutical wastewater was estimated to be $0.059/L.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 366-379"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141569150","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}
The efficient removal of organic pollutants from wastewater is a global challenge and poses a significant threat to public health and ecosystems. In this study, we synthesized a novel fenugreek gum-based polymer functionalized with dopamine (DA) and monomers dimethylamino ethyl methacrylate (DMA), acrylamide, and N, N, methylene bis acrylamide (MBA) as a crosslinker and TiO2 nanocomposite hydrogel photocatalytic degradation for environmental remediation. The nanocomposite hydrogel was determined using various analytical techniques such as FT-IR, XRD, FESEM, EDX, DRS-UV, TEM, LC-MS, and XPS. The optical band gap was at 2.81 eV, calculated from UV–visible DRS spectra. The XRD confirmed the crystalline and anatase phases. TEM, EDX, and XPS analyses defined the size, shape, chemical composition, and purity of synthesized FNG/DDM/TiO2 nanocomposite hydrogel. The resulting nanocomposite hydrogel photocatalyst effectively degraded hazardous pollutants such as methylene blue (MB) and Congo red (CR) organic dyes under visible light irradiation. The decomposition efficiency of Congo red is 95.27 % within 75 min and methylene blue is 73.26 % within 150 min. Moreover, the results of the trapping experiment revealed that the active species in the photocatalytic degradation process are holes (h+) and super oxide radicals (.O2-), more reactive species. The probable degradation intermediates and the degradation pathway were analyzed by LCMS analysis, and the degradation fragments formed during Congo red (CR) dye degradation were identified. The recyclability and stability were studied in the presence of a photocatalyst, achieving 90.5 % degradation after four cycles. The FNG/DDM/TiO2 hydrogel also effectively removed dyes from wastewater containing organic pollutants. The novel FNG/DDM/TiO2 nanocomposite hydrogel, synthesized through an environmentally friendly polymer, demonstrated high efficiency in degrading organic dyes, excellent recyclability with robust structural stability, and significant potential for photocatalytic degradation of wastewater across various industries.
{"title":"Fabrication of dopamine/TiO2 nanocomposite hydrogel using fenugreek gum for efficient photocatalytic degradation of organic pollutants under visible light irradiation","authors":"Kasula Nagaraja, Muthuraj Arunpandian, Tae Hwan Oh","doi":"10.1016/j.jiec.2024.07.019","DOIUrl":"10.1016/j.jiec.2024.07.019","url":null,"abstract":"<div><div>The efficient removal of organic pollutants from wastewater is a global challenge and poses a significant threat to public health and ecosystems. In this study, we synthesized a novel fenugreek gum-based polymer functionalized with dopamine (DA) and monomers dimethylamino ethyl methacrylate (DMA), acrylamide, and N, N, methylene bis acrylamide (MBA) as a crosslinker and TiO<sub>2</sub> nanocomposite hydrogel photocatalytic degradation for environmental remediation. The nanocomposite hydrogel was determined using various analytical techniques such as FT-IR, XRD, FESEM, EDX, DRS-UV, TEM, LC-MS, and XPS. The optical band gap was at 2.81 eV, calculated from UV–visible DRS spectra. The XRD confirmed the crystalline and anatase phases. TEM, EDX, and XPS analyses defined the size, shape, chemical composition, and purity of synthesized FNG/DDM/TiO<sub>2</sub> nanocomposite hydrogel. The resulting nanocomposite hydrogel photocatalyst effectively degraded hazardous pollutants such as methylene blue (MB) and Congo red (CR) organic dyes under visible light irradiation. The decomposition efficiency of Congo red is 95.27 % within 75 min and methylene blue is 73.26 % within 150 min. Moreover, the results of the trapping experiment revealed that the active species in the photocatalytic degradation process are holes (h<sup>+</sup>) and super oxide radicals (<sup>.</sup>O<sub>2</sub><sup>-</sup>), more reactive species. The probable degradation intermediates and the degradation pathway were analyzed by LCMS analysis, and the degradation fragments formed during Congo red (CR) dye degradation were identified. The recyclability and stability were studied in the presence of a photocatalyst, achieving 90.5 % degradation after four cycles. The FNG/DDM/TiO<sub>2</sub> hydrogel also effectively removed dyes from wastewater containing organic pollutants. The novel FNG/DDM/TiO<sub>2</sub> nanocomposite hydrogel, synthesized through an environmentally friendly polymer, demonstrated high efficiency in degrading organic dyes, excellent recyclability with robust structural stability, and significant potential for photocatalytic degradation of wastewater across various industries.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"141 ","pages":"Pages 597-609"},"PeriodicalIF":5.9,"publicationDate":"2025-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141846325","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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