Chemical Engineering Journal Advances最新文献

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Response surface method-driven design of experiments for the synthesis of fly ash-based geopolymers in the gallic acid optimized removal from wastewater

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-01-07 DOI: 10.1016/j.ceja.2024.100703

Ana Paula Ferreira , Ana Paula S. Natal , Arthur P. Baldo , Adriano S. Silva , Jose L. Diaz de Tuesta , Pricila Marin , José A. Peres , Helder T. Gomes

The growing need for sustainable wastewater treatment solutions has led to exploring alternative materials to explore large-scale and reliable technologies. This study focuses on optimizing the synthesis of geopolymers based on fly ash using a Box-Behnken experimental design to enhance their adsorption efficiency for phenolic compounds, as gallic acid model pollutant which are widely found in wastewater leaching from landfills. Fifteen geopolymer samples were synthesized, characterized, and tested for adsorption performance. Various techniques were employed, including X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy. The optimization process highlighted the significance of the Si/Al mass ratio, NaOH molar concentration, and Na₂SiO₃/NaOH as variables in the geopolymers production. Geopolymer samples demonstrated significant adsorption capacities, with GP_2.0_10_2.5 achieving a maximum adsorption capacity of 75.8 mg g^-1. Kinetic studies indicated that the pseudo-first-order model best described the adsorption process. At the same time, equilibrium data fitted well with both Langmuir and Freundlich isotherms, with GP_2.0_10_2.5 showing the best fit for the Langmuir model. These findings reveal the potential of geopolymers derived from fly ash as cost-effective adsorbents in wastewater treatment, promoting the reuse of industrial waste within the framework of a Circular Economy.

{"title":"Response surface method-driven design of experiments for the synthesis of fly ash-based geopolymers in the gallic acid optimized removal from wastewater","authors":"Ana Paula Ferreira , Ana Paula S. Natal , Arthur P. Baldo , Adriano S. Silva , Jose L. Diaz de Tuesta , Pricila Marin , José A. Peres , Helder T. Gomes","doi":"10.1016/j.ceja.2024.100703","DOIUrl":"10.1016/j.ceja.2024.100703","url":null,"abstract":"<div><div>The growing need for sustainable wastewater treatment solutions has led to exploring alternative materials to explore large-scale and reliable technologies. This study focuses on optimizing the synthesis of geopolymers based on fly ash using a Box-Behnken experimental design to enhance their adsorption efficiency for phenolic compounds, as gallic acid model pollutant which are widely found in wastewater leaching from landfills. Fifteen geopolymer samples were synthesized, characterized, and tested for adsorption performance. Various techniques were employed, including X-ray diffraction (XRD), scanning electron microscopy (SEM), Fourier transform infrared (FT-IR) spectroscopy. The optimization process highlighted the significance of the Si/Al mass ratio, NaOH molar concentration, and Na₂SiO₃/NaOH as variables in the geopolymers production. Geopolymer samples demonstrated significant adsorption capacities, with GP_2.0_10_2.5 achieving a maximum adsorption capacity of 75.8 mg g<sup>-1</sup>. Kinetic studies indicated that the pseudo-first-order model best described the adsorption process. At the same time, equilibrium data fitted well with both Langmuir and Freundlich isotherms, with GP_2.0_10_2.5 showing the best fit for the Langmuir model. These findings reveal the potential of geopolymers derived from fly ash as cost-effective adsorbents in wastewater treatment, promoting the reuse of industrial waste within the framework of a Circular Economy.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100703"},"PeriodicalIF":5.5,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Quantum dot nanomaterials: Empowering advances in optoelectronic devices

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2025-01-06 DOI: 10.1016/j.ceja.2025.100704

Mariam Akter Mimona , Md Israfil Hossain Rimon , Fatema Tuz Zohura , Jannatul Mawya Sony , Samira Islam Rim , Md Mostafizur Rahman Arup , Md Hosne Mobarak

Quantum dot nanomaterials possess distinct optical and electrical properties from quantum confinement effects. These materials have notable benefits in diverse fields like solar energy conversion, bioimaging, and optoelectronic devices, owing to their high quantum yield and light emission that depends on their size. Nevertheless, the broad implementation of these technologies is impeded by problems such as exorbitant production costs, probable toxicity, and environmental instability. Novel synthesis strategies, such as nonorganometallic approaches and microwave-based procedures, are addressing these problems by strengthening safety, reducing expenses, and improving the photostability of quantum dots. This paper examines how quantum dots are created, methodologies for analyzing their properties, and possible uses in nanotechnology. It emphasizes how quantum dots have the ability to transform nanotechnology and overcome existing technological constraints. This review focuses on the most recent developments in quantum dot synthesis, exploring their diverse applications across multiple disciplines and discussing the ongoing endeavors to address the issues that come with them.

{"title":"Quantum dot nanomaterials: Empowering advances in optoelectronic devices","authors":"Mariam Akter Mimona , Md Israfil Hossain Rimon , Fatema Tuz Zohura , Jannatul Mawya Sony , Samira Islam Rim , Md Mostafizur Rahman Arup , Md Hosne Mobarak","doi":"10.1016/j.ceja.2025.100704","DOIUrl":"10.1016/j.ceja.2025.100704","url":null,"abstract":"<div><div>Quantum dot nanomaterials possess distinct optical and electrical properties from quantum confinement effects. These materials have notable benefits in diverse fields like solar energy conversion, bioimaging, and optoelectronic devices, owing to their high quantum yield and light emission that depends on their size. Nevertheless, the broad implementation of these technologies is impeded by problems such as exorbitant production costs, probable toxicity, and environmental instability. Novel synthesis strategies, such as nonorganometallic approaches and microwave-based procedures, are addressing these problems by strengthening safety, reducing expenses, and improving the photostability of quantum dots. This paper examines how quantum dots are created, methodologies for analyzing their properties, and possible uses in nanotechnology. It emphasizes how quantum dots have the ability to transform nanotechnology and overcome existing technological constraints. This review focuses on the most recent developments in quantum dot synthesis, exploring their diverse applications across multiple disciplines and discussing the ongoing endeavors to address the issues that come with them.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100704"},"PeriodicalIF":5.5,"publicationDate":"2025-01-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174990","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Reaction engineering of the hydrogenolysis of liquid n-Alkanes: Comparison of flow and batch reaction systems

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-12-28 DOI: 10.1016/j.ceja.2024.100701

Zhuoming Feng , Siwon Lee , Raymond J. Gorte , John M. Vohs

Currently there is much interest in developing catalysts for the hydrogenolysis of long-chain alkanes for use in the recycling and upcycling of waste polyolefins. Understanding how reactor configurations affect reactivity and product distributions for this class of reactions is equally important. To aid in this effort, here we report a study of the hydrogenolysis of the alkane, n-hexatriacontane (C₃₆H₇₄), over a Ru/SiO₂ catalyst in both batch and flow reactor configurations. For similar catalyst contact times and H₂ pressures, the C₃₆ hydrogenolysis rate was found to be significantly higher in the batch reactor compared to the flow reactor which can be attributed to H₂ bubbles forming inactive dry zones on the catalyst surface in the flow reactor which are less prevalent in the batch reactor. In both reactor systems the hydrogenolysis rate was found to be negative order in H₂ and that transport of the H₂ through the liquid phase to the catalyst surface was not rate limiting.

{"title":"Reaction engineering of the hydrogenolysis of liquid n-Alkanes: Comparison of flow and batch reaction systems","authors":"Zhuoming Feng , Siwon Lee , Raymond J. Gorte , John M. Vohs","doi":"10.1016/j.ceja.2024.100701","DOIUrl":"10.1016/j.ceja.2024.100701","url":null,"abstract":"<div><div>Currently there is much interest in developing catalysts for the hydrogenolysis of long-chain alkanes for use in the recycling and upcycling of waste polyolefins. Understanding how reactor configurations affect reactivity and product distributions for this class of reactions is equally important. To aid in this effort, here we report a study of the hydrogenolysis of the alkane, <em>n</em>-hexatriacontane (C<sub>36</sub>H<sub>74</sub>), over a Ru/SiO<sub>2</sub> catalyst in both batch and flow reactor configurations. For similar catalyst contact times and H<sub>2</sub> pressures, the C<sub>36</sub> hydrogenolysis rate was found to be significantly higher in the batch reactor compared to the flow reactor which can be attributed to H<sub>2</sub> bubbles forming inactive dry zones on the catalyst surface in the flow reactor which are less prevalent in the batch reactor. In both reactor systems the hydrogenolysis rate was found to be negative order in H<sub>2</sub> and that transport of the H<sub>2</sub> through the liquid phase to the catalyst surface was not rate limiting.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100701"},"PeriodicalIF":5.5,"publicationDate":"2024-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143175835","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Efficient iodine sequestration by chemically robust C-C bonded hyper-crosslinked porous organic polymers

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-12-25 DOI: 10.1016/j.ceja.2024.100700

Mayakannan G , Karthikkumar R , Himan Dev Singh , Debanjan Chakraborty , Shyamapada Nandi

Capturing radioiodine from off-gas mixture or contaminated solution is crucial for maintaining environmental safety and public health. However, this is technically challenging because of many factors like low concentration of iodine, harsh operational conditions such as high temperature, presence of high humidity & acidic vapors etc. Herein we report three highly robust hyper-crosslinked porous organic frameworks named IISERP-POF6, IISERP-POF7 and IISERP-POF8 for effective iodine sequestration from the vapour phase as well as solution phase. These polymers not only exhibited an impressive iodine capture capacity (200 mg/g at 25 °C) from a solution having a low iodine concentration (250 mg/L) but also displayed a decent iodine capture capacity (∼2.87 g/g) in the vapour phase at 75 °C. The polymers being chemically robust can be employed in very harsh operating conditions and recycled easily with no loss of iodine capacity. X-ray photoelectron spectroscopy analysis of the I₂-loaded polymers indicated the presence of molecular iodine (I₂) and polyiodide (I₃^-/I₅^-) species in the polymeric frameworks. Density Functional Theory (DFT) studies revealed the interaction of the iodine with the methyl C-H and methylene C-H groups with a short contact distance of 3.4–3.5 Å Additionally, there have been favorable interactions between the π-electron clouds of the monomers such as pyrene, naphthene, and triphenylmethane with iodine/polyiodide species.

{"title":"Efficient iodine sequestration by chemically robust C-C bonded hyper-crosslinked porous organic polymers","authors":"Mayakannan G , Karthikkumar R , Himan Dev Singh , Debanjan Chakraborty , Shyamapada Nandi","doi":"10.1016/j.ceja.2024.100700","DOIUrl":"10.1016/j.ceja.2024.100700","url":null,"abstract":"<div><div>Capturing radioiodine from off-gas mixture or contaminated solution is crucial for maintaining environmental safety and public health. However, this is technically challenging because of many factors like low concentration of iodine, harsh operational conditions such as high temperature, presence of high humidity & acidic vapors etc. Herein we report three highly robust hyper-crosslinked porous organic frameworks named IISERP-POF6, IISERP-POF7 and IISERP-POF8 for effective iodine sequestration from the vapour phase as well as solution phase. These polymers not only exhibited an impressive iodine capture capacity (200 mg/g at 25 °C) from a solution having a low iodine concentration (250 mg/L) but also displayed a decent iodine capture capacity (∼2.87 g/g) in the vapour phase at 75 °C. The polymers being chemically robust can be employed in very harsh operating conditions and recycled easily with no loss of iodine capacity. X-ray photoelectron spectroscopy analysis of the I<sub>2</sub>-loaded polymers indicated the presence of molecular iodine (I<sub>2</sub>) and polyiodide (I<sub>3</sub><sup>-</sup>/I<sub>5</sub><sup>-</sup>) species in the polymeric frameworks. Density Functional Theory (DFT) studies revealed the interaction of the iodine with the methyl C-H and methylene C-H groups with a short contact distance of 3.4–3.5 Å Additionally, there have been favorable interactions between the π-electron clouds of the monomers such as pyrene, naphthene, and triphenylmethane with iodine/polyiodide species.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100700"},"PeriodicalIF":5.5,"publicationDate":"2024-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143175354","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Development of a novel physics-informed machine learning model for advanced thermochemical waste conversion

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-12-22 DOI: 10.1016/j.ceja.2024.100699

Surika van Wyk

A physics-informed machine learning (ML) model, which incorporates the conservation of carbon mass, was developed to predict the product gas yield and composition for indirect gasification of waste in a fluidized bed. A dataset was compiled from experimental data of an in-house reactor, encompassing a wide range of feedstocks characteristics (biomass to plastics) and process conditions, which served as input for the model. Four data-driven models were trained and evaluated, with the XGBoost model having the best predictive accuracy (RMSE = 1.1 & R² = 0.99) and being adapted for the physics-informed model. The optimum physics contribution was 30 % (70 % data contribution) to maintain predictive accuracy (RMSE = 2.7 & R² = 0.95) and improve carbon closure. Feedstock properties were shown to have a higher feature importance compared to the operating conditions. The developed physics-informed model demonstrated the potential of ML models for the modelling of gasification of various waste streams. This is a promising first step towards improving data-driven ML models for application to thermochemical systems.

{"title":"Development of a novel physics-informed machine learning model for advanced thermochemical waste conversion","authors":"Surika van Wyk","doi":"10.1016/j.ceja.2024.100699","DOIUrl":"10.1016/j.ceja.2024.100699","url":null,"abstract":"<div><div>A physics-informed machine learning (ML) model, which incorporates the conservation of carbon mass, was developed to predict the product gas yield and composition for indirect gasification of waste in a fluidized bed. A dataset was compiled from experimental data of an in-house reactor, encompassing a wide range of feedstocks characteristics (biomass to plastics) and process conditions, which served as input for the model. Four data-driven models were trained and evaluated, with the XGBoost model having the best predictive accuracy (RMSE = 1.1 & R<sup>2</sup> = 0.99) and being adapted for the physics-informed model. The optimum physics contribution was 30 % (70 % data contribution) to maintain predictive accuracy (RMSE = 2.7 & R<sup>2</sup> = 0.95) and improve carbon closure. Feedstock properties were shown to have a higher feature importance compared to the operating conditions. The developed physics-informed model demonstrated the potential of ML models for the modelling of gasification of various waste streams. This is a promising first step towards improving data-driven ML models for application to thermochemical systems.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100699"},"PeriodicalIF":5.5,"publicationDate":"2024-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143175353","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Spout diameter in fine particle conical spouted beds: Assessing the influence of draft tubes by PTV

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-12-19 DOI: 10.1016/j.ceja.2024.100696

Maider Bolaños, Xabier Sukunza, Mikel Tellabide, Idoia Estiati, Haritz Altzibar, Miriam Arabiourrutia, Martin Olazar

The spout diameter is an essential parameter for designing spouted bed contactors, as it conditions the gas–solid contact and heat and mass transfer rates. Several correlations have been proposed in the literature to estimate the spout size, but they do not provide accurate results in beds made up of fine particles, especially when they are equipped with open-sided draft tubes. Accordingly, the spout–annulus interface has been determined by means of Particle Tracking Velocimetry (PTV) and the spout shape has been delineated under different operating conditions in fountain confined conical spouted beds of varying geometric parameters. The air inlet diameter and gas velocity, as well as the aperture ratio of the open-sided draft tubes, are the parameters of greatest influence. Accordingly, a new correlation has been proposed, which allows predicting accurately the spout size in beds without draft tube, as well as those equipped with open-sided ones.

引用次数: 0

Producing hydrogen from biomass and seawater using immobilized carbon nitride photocatalysts

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-12-18 DOI: 10.1016/j.ceja.2024.100697

Ana L. Machado , Ricardo A. Oliveira , Goran Dražić , Joana C. Lopes , Cláudia G. Silva , Joaquim L. Faria , Maria J. Sampaio

To address the challenges related with using powdered catalysts and freshwater in photocatalytic hydrogen (H₂) production, this study explores the performance of carbon nitride-based catalyst immobilized on a 3D structure, employing seawater as a proton source. Methanol and saccharides such as cellobiose, fructose, glucose, saccharose and sorbitol were used as sacrificial agents to accelerate H₂ production via photoreforming. The results using immobilized photocatalyst showed that, at similar molar concentrations, glucose reveals higher efficiency compared with methanol, achieving an amount of H₂ evolution of 102 µmol after 180 min under visible light, compared to 45 µmol with methanol. Among the mono- and polysaccharides used, cellobiose has emerged as the most promising for H₂ evolution, achieving the highest amount of H₂ (124 µmol) after 180 min reaction. This result suggests a correlation between the efficiency of scavenging holes and the number of hydroxyl groups in the electron donor's structure. Despite a slight decrease in H₂ evolution compared with the powdered catalysts, the use of immobilized photocatalyst exhibited remarkable stability in both ultrapure water and seawater, maintaining its performance across multiple reuse cycles. The photocatalytic system demonstrated remarkable efficiency for H₂ production, avoiding phases separation processes, promotes the transition to continuous flow reactors and preserve freshwater resources.

{"title":"Producing hydrogen from biomass and seawater using immobilized carbon nitride photocatalysts","authors":"Ana L. Machado , Ricardo A. Oliveira , Goran Dražić , Joana C. Lopes , Cláudia G. Silva , Joaquim L. Faria , Maria J. Sampaio","doi":"10.1016/j.ceja.2024.100697","DOIUrl":"10.1016/j.ceja.2024.100697","url":null,"abstract":"<div><div>To address the challenges related with using powdered catalysts and freshwater in photocatalytic hydrogen (H<sub>2</sub>) production, this study explores the performance of carbon nitride-based catalyst immobilized on a 3D structure, employing seawater as a proton source. Methanol and saccharides such as cellobiose, fructose, glucose, saccharose and sorbitol were used as sacrificial agents to accelerate H<sub>2</sub> production via photoreforming. The results using immobilized photocatalyst showed that, at similar molar concentrations, glucose reveals higher efficiency compared with methanol, achieving an amount of H<sub>2</sub> evolution of 102 µmol after 180 min under visible light, compared to 45 µmol with methanol. Among the mono- and polysaccharides used, cellobiose has emerged as the most promising for H<sub>2</sub> evolution, achieving the highest amount of H<sub>2</sub> (124 µmol) after 180 min reaction. This result suggests a correlation between the efficiency of scavenging holes and the number of hydroxyl groups in the electron donor's structure. Despite a slight decrease in H₂ evolution compared with the powdered catalysts, the use of immobilized photocatalyst exhibited remarkable stability in both ultrapure water and seawater, maintaining its performance across multiple reuse cycles. The photocatalytic system demonstrated remarkable efficiency for H₂ production, avoiding phases separation processes, promotes the transition to continuous flow reactors and preserve freshwater resources.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100697"},"PeriodicalIF":5.5,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143173987","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Transition of BiOCl nanosheet into cotton-like clusters for piezoelectric enhanced photocatalytic degradation of dye and photocatalytic hydrogen production

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-12-18 DOI: 10.1016/j.ceja.2024.100698

Zheng Luo , C.P. Leo , Fengbo Guo , Xin-ya Zhao

Photocatalysts offer sustainable treatment of water pollutants using light and they can be further piezoelectrically enhanced. As a highly efficient, stable, and environmentally friendly photocatalytic material, bismuth oxychloride (BiOCl) exhibits significant advantages in the degradation of rhodamine B, but its morphology can be easily affected by solvothermal synthesis. In this study, the solvent effects of ethylene glycol and water were compared in the presence of polyvinylpyrrolidone (PVP) through solvothermal and hydrothermal reactions, respectively. X-ray diffraction patterns, Fourier-transform infrared spectra, and X-ray photoelectron spectra confirmed the formation of BiOCl nanosheets with numerous oxygen-rich vacancies. Scanning electron microscopy and transmission electron microscopy images showed circular plate-like structures or spherical clusters with a diameter of approximately 1 μm when BiOCl was prepared using water or without the addition of PVP, respectively. The plate-like structure and the spherical clusters transformed into cotton-like spherical clusters assembled from ultra-thin nanosheets with diameters ranging from 20 to 50 nm after using ethylene glycol and PVP. UV–vis absorption spectra showed that BiOCl with a cotton-like spherical structure could achieve higher dye degradation efficiency than BiOCl with a plate-like or spherical structure. The piezoelectric-enhanced photodegradation rates of rhodamine B were significantly increased by about 22 times since the piezoelectric photocurrent intensities rose nearly three times and the generation of •O₂⁻ and •OH increased. The photocatalytic hydrogen production was improved by 55.3 % and sustained up to 4 cycles due to the conduction band reduction, as proven by the Mott-Schottky plot.

{"title":"Transition of BiOCl nanosheet into cotton-like clusters for piezoelectric enhanced photocatalytic degradation of dye and photocatalytic hydrogen production","authors":"Zheng Luo , C.P. Leo , Fengbo Guo , Xin-ya Zhao","doi":"10.1016/j.ceja.2024.100698","DOIUrl":"10.1016/j.ceja.2024.100698","url":null,"abstract":"<div><div>Photocatalysts offer sustainable treatment of water pollutants using light and they can be further piezoelectrically enhanced. As a highly efficient, stable, and environmentally friendly photocatalytic material, bismuth oxychloride (BiOCl) exhibits significant advantages in the degradation of rhodamine B, but its morphology can be easily affected by solvothermal synthesis. In this study, the solvent effects of ethylene glycol and water were compared in the presence of polyvinylpyrrolidone (PVP) through solvothermal and hydrothermal reactions, respectively. X-ray diffraction patterns, Fourier-transform infrared spectra, and X-ray photoelectron spectra confirmed the formation of BiOCl nanosheets with numerous oxygen-rich vacancies. Scanning electron microscopy and transmission electron microscopy images showed circular plate-like structures or spherical clusters with a diameter of approximately 1 μm when BiOCl was prepared using water or without the addition of PVP, respectively. The plate-like structure and the spherical clusters transformed into cotton-like spherical clusters assembled from ultra-thin nanosheets with diameters ranging from 20 to 50 nm after using ethylene glycol and PVP. UV–vis absorption spectra showed that BiOCl with a cotton-like spherical structure could achieve higher dye degradation efficiency than BiOCl with a plate-like or spherical structure. The piezoelectric-enhanced photodegradation rates of rhodamine B were significantly increased by about 22 times since the piezoelectric photocurrent intensities rose nearly three times and the generation of •O<sub>2</sub><sup>−</sup> and •OH increased. The photocatalytic hydrogen production was improved by 55.3 % and sustained up to 4 cycles due to the conduction band reduction, as proven by the Mott-Schottky plot.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100698"},"PeriodicalIF":5.5,"publicationDate":"2024-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143174985","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-12-06 DOI: 10.1016/j.ceja.2024.100693

László Balogh , Jenő Bódis , Botond Szilágyi , Ágnes Bárkányi , Attila Egedy

The importance and need for greener and more sustainable chemical processes and technologies can hardly be overestimated. However, many industries still produce a considerable amount of waste. Reusing these waste streams is an indispensable piece towards realizing fully circular and sustainable economy. Accordingly, it is imperative to operate chemical processes with maximal recycling to minimize waste generation. The study presents in the aforedescribed spirit, the synthesis of propionic acid, where the various goals are optimally realized by unleashing the predictive power of nonlinear process model. A method for synthesizing propionic acid is through the heterogeneous catalytic reaction route between ethylene gas, carbon monoxide, and water. The atom efficiency of the process is 100% with the possibility of fully separating the products and recirculating the unreacted starting materials. Hence, the chemistry of the proposed catalytic route is material efficient. To make the process operate well, we apply the available measured data co construct a kinetic model, and use it to optimize the system subject to various goals. The data were not primarily measured for modeling, but for parametric reactor analysis. Yet, using the apriori knowledge about the process (i.e., the microkinetics of the reactions), the data enabled the kinetic model identification, resulting in a fitting on the measured outputs characterized by a coefficient of determination of 0.76. The operating parameters were optimized by using this model to enhance the energy and material efficiency of the process. The optimized turnover frequency happened to be is 3.974

mol / m^{3} catalyst/s

, reached at 264 °C, 12 bar and ethylene:CO:H

_{2}

O:EtI = 0.379:0.098:0.506:0.016 starting material ratio.

{"title":"Limited data based kinetic modeling and optimization of propionic acid synthesis over supported Rh/C catalyst","authors":"László Balogh , Jenő Bódis , Botond Szilágyi , Ágnes Bárkányi , Attila Egedy","doi":"10.1016/j.ceja.2024.100693","DOIUrl":"10.1016/j.ceja.2024.100693","url":null,"abstract":"<div><div>The importance and need for greener and more sustainable chemical processes and technologies can hardly be overestimated. However, many industries still produce a considerable amount of waste. Reusing these waste streams is an indispensable piece towards realizing fully circular and sustainable economy. Accordingly, it is imperative to operate chemical processes with maximal recycling to minimize waste generation. The study presents in the aforedescribed spirit, the synthesis of propionic acid, where the various goals are optimally realized by unleashing the predictive power of nonlinear process model. A method for synthesizing propionic acid is through the heterogeneous catalytic reaction route between ethylene gas, carbon monoxide, and water. The atom efficiency of the process is 100% with the possibility of fully separating the products and recirculating the unreacted starting materials. Hence, the chemistry of the proposed catalytic route is material efficient. To make the process operate well, we apply the available measured data co construct a kinetic model, and use it to optimize the system subject to various goals. The data were not primarily measured for modeling, but for parametric reactor analysis. Yet, using the apriori knowledge about the process (i.e., the microkinetics of the reactions), the data enabled the kinetic model identification, resulting in a fitting on the measured outputs characterized by a coefficient of determination of 0.76. The operating parameters were optimized by using this model to enhance the energy and material efficiency of the process. The optimized turnover frequency happened to be is 3.974 <span><math><mrow><mtext>mol</mtext><mo>/</mo><msup><mrow><mtext>m</mtext></mrow><mrow><mn>3</mn></mrow></msup><mtext>catalyst/s</mtext></mrow></math></span>, reached at 264 °C, 12 bar and ethylene:CO:H<span><math><msub><mrow></mrow><mrow><mn>2</mn></mrow></msub></math></span>O:EtI = 0.379:0.098:0.506:0.016 starting material ratio.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100693"},"PeriodicalIF":5.5,"publicationDate":"2024-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143175356","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Dense integration of chlorocatechols crosslinked polyphenylene sulfide solid-state separator for Li metal-free batteries

IF 5.5 Q1 ENGINEERING, CHEMICAL

Chemical Engineering Journal Advances

Pub Date : 2024-12-04 DOI: 10.1016/j.ceja.2024.100694

Haitao Zhou , Lianlu Wan , Jiacheng Han , Jian-Chun Wu , Yihong Deng , Jie Gu , Huanggang Wang , Hongquan Gao , Zilong Su

Dry electrode film fabrication technology, known for its environmental friendliness and low energy consumption, is recognized as an effective industrial approach for producing highly dense solid-state electrolytes and pore-free separators. It holds promise for applying thin lithium metal and Li metal-free anodes in ultra-high energy density Li-ions batteries. However, the films produced by this method suffer from issues such as poor toughness, low strength, uneven thickness, and difficulties in rewinding, which limit its widespread adoption in the large-scale manufacturing of lithium batteries. In this study, we propose a hydrothermal process to introduce a chlorocatechol-based cross-linker onto the surface of highly crystalline polyphenylene sulfide (PPS) powder. By employing the dry electrode process, a PPS-based solid-state separator (PPS-SSS) is fabricated, featuring a thin profile (18±2 μm), a smoother surface, and a denser structure, significantly enhancing its mechanical properties. Moreover, the dense integration structure and chlorocatechol groups contribute to a higher Li⁺ transference number and more effectively inhibit the growth of Li dendrites. Li metal-free batteries, constructed with this separator, a Sn-plated Cu 10 μm foil anode, and a thick high-nickel cathode dry electrode, exhibit high discharge areal and specific capacities (5 mAh cm⁻² and 200 mAh g⁻¹, respectively) and pouch battery device energy density exceeding 440 Wh kg⁻¹. Impressively, even in the presence of Cu or Fe powder contamination on the CuSn foil anode or cathode, this separator can still achieve uniform electric field distribution and lithium deposition, demonstrating good cycle stability.

{"title":"Dense integration of chlorocatechols crosslinked polyphenylene sulfide solid-state separator for Li metal-free batteries","authors":"Haitao Zhou , Lianlu Wan , Jiacheng Han , Jian-Chun Wu , Yihong Deng , Jie Gu , Huanggang Wang , Hongquan Gao , Zilong Su","doi":"10.1016/j.ceja.2024.100694","DOIUrl":"10.1016/j.ceja.2024.100694","url":null,"abstract":"<div><div>Dry electrode film fabrication technology, known for its environmental friendliness and low energy consumption, is recognized as an effective industrial approach for producing highly dense solid-state electrolytes and pore-free separators. It holds promise for applying thin lithium metal and Li metal-free anodes in ultra-high energy density Li-ions batteries. However, the films produced by this method suffer from issues such as poor toughness, low strength, uneven thickness, and difficulties in rewinding, which limit its widespread adoption in the large-scale manufacturing of lithium batteries. In this study, we propose a hydrothermal process to introduce a chlorocatechol-based cross-linker onto the surface of highly crystalline polyphenylene sulfide (PPS) powder. By employing the dry electrode process, a PPS-based solid-state separator (PPS-SSS) is fabricated, featuring a thin profile (18±2 μm), a smoother surface, and a denser structure, significantly enhancing its mechanical properties. Moreover, the dense integration structure and chlorocatechol groups contribute to a higher Li<sup>+</sup> transference number and more effectively inhibit the growth of Li dendrites. Li metal-free batteries, constructed with this separator, a Sn-plated Cu 10 μm foil anode, and a thick high-nickel cathode dry electrode, exhibit high discharge areal and specific capacities (5 mAh cm<sup>−2</sup> and 200 mAh <em>g</em><sup>−1</sup>, respectively) and pouch battery device energy density exceeding 440 Wh kg<sup>−1</sup>. Impressively, even in the presence of Cu or Fe powder contamination on the CuSn foil anode or cathode, this separator can still achieve uniform electric field distribution and lithium deposition, demonstrating good cycle stability.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"21 ","pages":"Article 100694"},"PeriodicalIF":5.5,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143175836","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

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