Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100915
Shabnam Tahmasebi, Reza Mohammadi
Wound healing is a complex biological process that requires effective materials to restore skin integrity. The objective of this study was to develop a bio-nanocomposite hydrogel with antibacterial, antioxidant, and hemostatic functions for wound healing applications. Sodium alginate (SA) was sequentially modified through dialdehyde and dicarboxylate functionalization and co-polymerized with acrylamide (AAm) and acrylic acid (AA) using potassium persulfate (KPS) as the initiator and N, N-methylene bisacrylamide (MBA) as the crosslinker. Silver nanoparticles (Ag NPs) were green-synthesized using Calendula officinalis (CO) extract and incorporated into the hydrogel. The prepared hydrogel showed a swelling capacity of 6700 % within 2 h and underwent controlled biodegradation under physiological conditions. Antibacterial tests demonstrated inhibition zones of 27 mm against Escherichia coli and 28 mm against S. aureus. The hydrogel also displayed 73 % antioxidant activity, 98 % cell viability in HFF-2 cells, a hemolysis index below 2 %, and a hemostatic index of 25 %. These results indicate that the hydrogel has potential for supporting wound healing through its combined antibacterial, antioxidant, and hemostatic properties.
{"title":"Multifunctional antibacterial and antioxidant hydrogel based on modified sodium alginate and green-synthesized Ag NPs for wound dressing applications","authors":"Shabnam Tahmasebi, Reza Mohammadi","doi":"10.1016/j.ceja.2025.100915","DOIUrl":"10.1016/j.ceja.2025.100915","url":null,"abstract":"<div><div>Wound healing is a complex biological process that requires effective materials to restore skin integrity. The objective of this study was to develop a bio-nanocomposite hydrogel with antibacterial, antioxidant, and hemostatic functions for wound healing applications. Sodium alginate (SA) was sequentially modified through dialdehyde and dicarboxylate functionalization and co-polymerized with acrylamide (AAm) and acrylic acid (AA) using potassium persulfate (KPS) as the initiator and <em>N, N</em>-methylene bisacrylamide (MBA) as the crosslinker. Silver nanoparticles (Ag NPs) were green-synthesized using <em>Calendula officinalis (CO)</em> extract and incorporated into the hydrogel. The prepared hydrogel showed a swelling capacity of 6700 % within 2 h and underwent controlled biodegradation under physiological conditions. Antibacterial tests demonstrated inhibition zones of 27 mm against <em>Escherichia coli</em> and 28 mm against <em>S. aureus</em>. The hydrogel also displayed 73 % antioxidant activity, 98 % cell viability in HFF-2 cells, a hemolysis index below 2 %, and a hemostatic index of 25 %. These results indicate that the hydrogel has potential for supporting wound healing through its combined antibacterial, antioxidant, and hemostatic properties.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100915"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412903","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100934
Md. Saiful Islam , Shreyoshi Mazumder , Sadit Bihongo Malitha , Md. Zahangir Alam , A. M. Sarwaruddin Chowdhury
The current world requires us to examine water scarcity as a vital matter. The main problem with water usability stems from its high salt content, which makes it unsuitable for different applications. The world now witnesses an increasing adoption of membrane-based desalination technology for water treatment. This study is based on a comprehensive evaluation of graphene oxide (GO)-based membranes for desalination operations. A complete bibliometric evaluation of research progress in GO-based membranes for desalination required a Scopus database download of a comprehensive dataset. The research hotspots become visible through Burst keyword analysis. The database underwent topic modeling and research evolution prediction through the integration of AI-derived models. The analysis of patent data from the “Lens” database enabled researchers to study actual GO-based membrane applications for desalination and their technological advancements. The study assesses industrialization challenges of GO-based membranes for desalination, along with a feasibility assessment to determine the implementation potential of GO-based membranes for desalination in South Asia, where water shortages and saltwater salinity present significant challenges. The research provides essential information to scientists who want to study GO-based membranes for desalination and business leaders who need to evaluate the current state and operational viability of this technology.
{"title":"Unveiling the future of graphene oxide-based desalination membranes: Bibliometric analysis, AI-powered topic modeling and research evolution forecast, patent analysis, and regional feasibility in South Asia","authors":"Md. Saiful Islam , Shreyoshi Mazumder , Sadit Bihongo Malitha , Md. Zahangir Alam , A. M. Sarwaruddin Chowdhury","doi":"10.1016/j.ceja.2025.100934","DOIUrl":"10.1016/j.ceja.2025.100934","url":null,"abstract":"<div><div>The current world requires us to examine water scarcity as a vital matter. The main problem with water usability stems from its high salt content, which makes it unsuitable for different applications. The world now witnesses an increasing adoption of membrane-based desalination technology for water treatment. This study is based on a comprehensive evaluation of graphene oxide (GO)-based membranes for desalination operations. A complete bibliometric evaluation of research progress in GO-based membranes for desalination required a Scopus database download of a comprehensive dataset. The research hotspots become visible through Burst keyword analysis. The database underwent topic modeling and research evolution prediction through the integration of AI-derived models. The analysis of patent data from the “Lens” database enabled researchers to study actual GO-based membrane applications for desalination and their technological advancements. The study assesses industrialization challenges of GO-based membranes for desalination, along with a feasibility assessment to determine the implementation potential of GO-based membranes for desalination in South Asia, where water shortages and saltwater salinity present significant challenges. The research provides essential information to scientists who want to study GO-based membranes for desalination and business leaders who need to evaluate the current state and operational viability of this technology.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100934"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462733","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100939
Omoyemen Oyegbeda, Abayneh Ataro Ambushe
Covalent triazine frameworks (CTFs), an intriguing member of the porous organic polymers (POPs), have garnered global attention in various applications due to their remarkable properties. This review adopted a bibliometric analysis to evaluate the trends of CTFs research since its first synthesis in 2008. The Scopus database was utilised to obtain data on CTFs from 2008 to 2024, and VOSviewer version 1.6.16 data visualisation software was employed to analyse co-authorship among countries and the co-occurrence of keywords. Among the 949 documents written in the English language that have been published on CTFs from 2008 to 2024, 870 (91.68%) were research articles, 61 (6.43%) belonged to review papers, and the remaining 18 (1.90%) were book chapters, conference proceedings, and others. China, with 646 documents and 26,348 citations, was the leading country in co-authorship occurrences, followed by Germany with 105 papers and 11,071 citations. Carbon dioxide, adsorption, and photocatalysis, with 169, 129, and 125 occurrences, respectively, were the most frequently used keywords, suggesting the research hotspots of CTFs application from 2008 to 2024. This review further classifies the synthesis of CTFs into five categories (ionothermal, acid-catalysed synthesis, carbon coupling, base-catalysed synthesis, and microwave synthesis). The various enhancement strategies were discussed, as well as their environmental (photocatalysis, Fenton-like catalysis, and photothermal) and biomedical (drug/gene delivery and disinfection) applications. Furthermore, its application, based on density functional theory (DFT) calculations, is highlighted. Overall, this review outlines the roadmap of CTFs in various applications since their discovery, serving as a guide for future research.
{"title":"A critical review of covalent triazine framework-based materials: Bibliometric study, synthesis, enhancement strategies, emerging applications, and DFT insights","authors":"Omoyemen Oyegbeda, Abayneh Ataro Ambushe","doi":"10.1016/j.ceja.2025.100939","DOIUrl":"10.1016/j.ceja.2025.100939","url":null,"abstract":"<div><div>Covalent triazine frameworks (CTFs), an intriguing member of the porous organic polymers (POPs), have garnered global attention in various applications due to their remarkable properties. This review adopted a bibliometric analysis to evaluate the trends of CTFs research since its first synthesis in 2008. The Scopus database was utilised to obtain data on CTFs from 2008 to 2024, and VOSviewer version 1.6.16 data visualisation software was employed to analyse co-authorship among countries and the co-occurrence of keywords. Among the 949 documents written in the English language that have been published on CTFs from 2008 to 2024, 870 (91.68%) were research articles, 61 (6.43%) belonged to review papers, and the remaining 18 (1.90%) were book chapters, conference proceedings, and others. China, with 646 documents and 26,348 citations, was the leading country in co-authorship occurrences, followed by Germany with 105 papers and 11,071 citations. Carbon dioxide, adsorption, and photocatalysis, with 169, 129, and 125 occurrences, respectively, were the most frequently used keywords, suggesting the research hotspots of CTFs application from 2008 to 2024. This review further classifies the synthesis of CTFs into five categories (ionothermal, acid-catalysed synthesis, carbon coupling, base-catalysed synthesis, and microwave synthesis). The various enhancement strategies were discussed, as well as their environmental (photocatalysis, Fenton-like catalysis, and photothermal) and biomedical (drug/gene delivery and disinfection) applications. Furthermore, its application, based on density functional theory (DFT) calculations, is highlighted. Overall, this review outlines the roadmap of CTFs in various applications since their discovery, serving as a guide for future research.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100939"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462624","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100931
Mohammad Sadegh Khodadadi, Ahad Ghaemi
This study investigates the efficacy of the zinc-triazole-oxalate-based metal-organic framework (MOF), CALF-20, for carbon dioxide (CO2) capture, combining experimental analysis and molecular dynamics (MD) simulations. The CALF-20 adsorbent was successfully synthesized and characterized using XRD, FTIR, FESEM, and N2 adsorption-desorption techniques, confirming its crystalline structure, chemical integrity, and mesoporous nature. Experimental adsorption studies at temperatures and pressures revealed a CO2 uptake of approximately 4.72 mmol/g at 298 K and 1 bar. Isotherm and kinetic modeling indicated that adsorption is well described by the Freundlich and fractional-order kinetic models, suggesting a complex mechanism on a heterogeneous surface. Thermodynamic analysis confirmed the process is spontaneous and exothermic (ΔH° = −10.024 kJ/mol), characteristic of physisorption. MD simulations used the DREIDING force field in LAMMPS for the CALF-20 framework and single-component (CO2, N2), binary (CO2N2), and ternary (CO2N2H2O) simulations. Complementary ternary simulations in RASPA used DREIDING for CO2 and N2, but employed the TIP4P water model for H2O to improve the accuracy of water-adsorption predictions (hydrogen bonding and electrostatics). These simulations confirmed CALF-20′s higher affinity for CO2 than for N2 and provided mechanistic insight into moisture effects—competitive H2O uptake that modestly reduces CO2 adsorption at higher pressures, while overall CO2 selectivity is preserved. IAST-predicted selectivity for a CO2N2 mixture (12.5:87.5 %) reached ∼140 at 298 K and 0.1 bar. CALF-20 also exhibited excellent cyclic stability, with negligible loss in capacity over 10 adsorption-desorption cycles. These integrated findings underscore the potential of CALF-20 as a robust, selective, and reusable adsorbent for post-combustion CO2 capture applications.
{"title":"Predicting flue gas component adsorption in CALF-20: A molecular dynamics study anchored by experimental CO2 capture","authors":"Mohammad Sadegh Khodadadi, Ahad Ghaemi","doi":"10.1016/j.ceja.2025.100931","DOIUrl":"10.1016/j.ceja.2025.100931","url":null,"abstract":"<div><div>This study investigates the efficacy of the zinc-triazole-oxalate-based metal-organic framework (MOF), CALF-20, for carbon dioxide (CO<sub>2</sub>) capture, combining experimental analysis and molecular dynamics (MD) simulations. The CALF-20 adsorbent was successfully synthesized and characterized using XRD, FTIR, FESEM, and N<sub>2</sub> adsorption-desorption techniques, confirming its crystalline structure, chemical integrity, and mesoporous nature. Experimental adsorption studies at temperatures and pressures revealed a CO<sub>2</sub> uptake of approximately 4.72 mmol/g at 298 K and 1 bar. Isotherm and kinetic modeling indicated that adsorption is well described by the Freundlich and fractional-order kinetic models, suggesting a complex mechanism on a heterogeneous surface. Thermodynamic analysis confirmed the process is spontaneous and exothermic (ΔH° = −10.024 kJ/mol), characteristic of physisorption. MD simulations used the DREIDING force field in LAMMPS for the CALF-20 framework and single-component (CO<sub>2</sub>, N<sub>2</sub>), binary (CO<sub>2</sub><sub><img></sub>N<sub>2</sub>), and ternary (CO<sub>2</sub><sub><img></sub>N<sub>2</sub><sub><img></sub>H<sub>2</sub>O) simulations. Complementary ternary simulations in RASPA used DREIDING for CO2 and N2, but employed the TIP4P water model for H2O to improve the accuracy of water-adsorption predictions (hydrogen bonding and electrostatics). These simulations confirmed CALF-20′s higher affinity for CO<sub>2</sub> than for N<sub>2</sub> and provided mechanistic insight into moisture effects—competitive H<sub>2</sub>O uptake that modestly reduces CO<sub>2</sub> adsorption at higher pressures, while overall CO<sub>2</sub> selectivity is preserved. IAST-predicted selectivity for a CO<sub>2</sub><sub><img></sub>N<sub>2</sub> mixture (12.5:87.5 %) reached ∼140 at 298 K and 0.1 bar. CALF-20 also exhibited excellent cyclic stability, with negligible loss in capacity over 10 adsorption-desorption cycles. These integrated findings underscore the potential of CALF-20 as a robust, selective, and reusable adsorbent for post-combustion CO<sub>2</sub> capture applications.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100931"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412994","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100942
Wei Xie , Yongjun Yao , Fuyun Hu , Sha Gong , Liping Peng
Constructing a perovskite solar cell (PSC) and a thermoelectric device (TE) integrated device, which transferring the heat from the PSC to the TE quickly is beneficial for enhancing the stability of the PSC and the efficiency of the PSC-TE integrated device. Usually, the simplest and most convenient combination method is directly connect the hot end of the TE to the metal electrode of the PSC. However, the thermal resistance between the metal electrode and the hot end will prevent the residual heat in the PSC quickly and fully transferred from the metal electrode to the hot end of TE, affecting the performance of the PSC-TE integrated device. Reducing the thermal resistance between the interface of the PSC and the TE, and improving the interface bonding strength are crucial for enhancing the performance of the PSC-TE integrated device. This paper prepared a reactive graphene-based silica gel (F-GO/EP-PDMS) composite material as the intermediate connection layer for PSC and TE integrated device, it utilizes the composite material excellent thermal conductivity to promptly transfer the heat from the PSC to the hot end of TE. Meanwhile, the excellent mechanical property and peel strength of F-GO/EP-PDMS provide sufficient interface connection between the PSC and TE, ensuring adequate structural stability. Compared to the direct contact of the PSC’s metal electrode with the hot end of TE device, the temperature at the hot end of the TE device can be raised to approximately 60 °C within a short period of time, effectively transferred the heat form the Photovoltaic cell to the thermoelectric device. For a single-junction PSC, the open circuit voltage (VOC) has increased by more than 100 mV, while not reducing the JSC and FF of the device, the conversion efficiency was increased from 24.11 % to 26.44 %. After a 200-hour light stability test, the efficiency of the PSC-TE integrated device still maintained the initial efficiency of 96.3 %. In the PSC-TE integrated device system, a relatively high device lifetime was achieved.
{"title":"Study on the performance of functionalized graphene oxide materials as interface adhesive layer for photovoltaic and thermoelectric devices","authors":"Wei Xie , Yongjun Yao , Fuyun Hu , Sha Gong , Liping Peng","doi":"10.1016/j.ceja.2025.100942","DOIUrl":"10.1016/j.ceja.2025.100942","url":null,"abstract":"<div><div>Constructing a perovskite solar cell (PSC) and a thermoelectric device (TE) integrated device, which transferring the heat from the PSC to the TE quickly is beneficial for enhancing the stability of the PSC and the efficiency of the PSC-TE integrated device. Usually, the simplest and most convenient combination method is directly connect the hot end of the TE to the metal electrode of the PSC. However, the thermal resistance between the metal electrode and the hot end will prevent the residual heat in the PSC quickly and fully transferred from the metal electrode to the hot end of TE, affecting the performance of the PSC-TE integrated device. Reducing the thermal resistance between the interface of the PSC and the TE, and improving the interface bonding strength are crucial for enhancing the performance of the PSC-TE integrated device. This paper prepared a reactive graphene-based silica gel (F-GO/EP-PDMS) composite material as the intermediate connection layer for PSC and TE integrated device, it utilizes the composite material excellent thermal conductivity to promptly transfer the heat from the PSC to the hot end of TE. Meanwhile, the excellent mechanical property and peel strength of F-GO/EP-PDMS provide sufficient interface connection between the PSC and TE, ensuring adequate structural stability. Compared to the direct contact of the PSC’s metal electrode with the hot end of TE device, the temperature at the hot end of the TE device can be raised to approximately 60 °C within a short period of time, effectively transferred the heat form the Photovoltaic cell to the thermoelectric device. For a single-junction PSC, the open circuit voltage (<em>V<sub>OC</sub></em>) has increased by more than 100 mV, while not reducing the <em>J<sub>SC</sub></em> and <em>FF</em> of the device, the conversion efficiency was increased from 24.11 % to 26.44 %. After a 200-hour light stability test, the efficiency of the PSC-TE integrated device still maintained the initial efficiency of 96.3 %. In the PSC-TE integrated device system, a relatively high device lifetime was achieved.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100942"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Parameter optimization in process design for chemical products is ideally performed at the system-wide level. However, such optimization presents a multivariate, multi-objective problem, requiring an extensive number of simulations. Here we optimized the parameters of the styrene monomer production process using an adaptive experimental design based on Bayesian optimization. As a result, we efficiently explored low-energy-consumption regions and successfully identified energy-efficient design points with a reduced number of simulations. Additionally, we analyzed the machine learning model using the SHapley Additive exPlanation (SHAP) method to visualize exploration trends and provide phenomenological interpretations. To further explore applications of SHAP analysis, we conducted feature selection and parameter tuning based on SHAP values. Feature selection using SHAP values significantly improved the generalization performance of the model, while parameter adjustments based on SHAP values further reduced energy consumption from the initially identified optimal points. This study represents the first attempt to integrate global optimization of overall chemical process design parameters with explainable artificial intelligence. Nevertheless, we also identified several challenges, such as the balance between exploration and exploitation and the limitations of local representations in the machine learning model. The framework combining Bayesian optimization and SHAP-based analysis developed in this study is applicable to various chemical processes. Our technical scheme has the potential to advance research on machine learning-driven process design and contribute to its industrial implementation in the future.
{"title":"Explainable artificial intelligence for chemical process informatics: Energy-efficient design of styrene monomer production","authors":"Sora Mimura , Taichi Masuda , Souta Miyamoto , Katsuaki Tanabe","doi":"10.1016/j.ceja.2025.100929","DOIUrl":"10.1016/j.ceja.2025.100929","url":null,"abstract":"<div><div>Parameter optimization in process design for chemical products is ideally performed at the system-wide level. However, such optimization presents a multivariate, multi-objective problem, requiring an extensive number of simulations. Here we optimized the parameters of the styrene monomer production process using an adaptive experimental design based on Bayesian optimization. As a result, we efficiently explored low-energy-consumption regions and successfully identified energy-efficient design points with a reduced number of simulations. Additionally, we analyzed the machine learning model using the SHapley Additive exPlanation (SHAP) method to visualize exploration trends and provide phenomenological interpretations. To further explore applications of SHAP analysis, we conducted feature selection and parameter tuning based on SHAP values. Feature selection using SHAP values significantly improved the generalization performance of the model, while parameter adjustments based on SHAP values further reduced energy consumption from the initially identified optimal points. This study represents the first attempt to integrate global optimization of overall chemical process design parameters with explainable artificial intelligence. Nevertheless, we also identified several challenges, such as the balance between exploration and exploitation and the limitations of local representations in the machine learning model. The framework combining Bayesian optimization and SHAP-based analysis developed in this study is applicable to various chemical processes. Our technical scheme has the potential to advance research on machine learning-driven process design and contribute to its industrial implementation in the future.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100929"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100926
Zhaoyuan Zhang , Yidan Shu
Fixed-bed adsorption is widely used for gas separation. In published work, to consider the impact of adsorbent particle size distribution in fixed-bed adsorption, a novel model integrating population balance equation (PBE) and mass transfer equation was proposed. However, when the PBE problem is high-dimensional, tremendous computation burden is usually unavoidable using numerical method, i.e. high-resolution finite volume algorithm. In this work, we develop an optimized solution algorithm that combines the analytical method of characteristics (MOC) and discrete numerical solving to accelerate the solution of PBE. Comparative analysis of computational performance was conducted between the optimized algorithm and the high-resolution finite volume algorithm. It was demonstrated that the optimized algorithm significantly outperforms the high-resolution method in computational resource consumption while maintaining solution consistency. Moreover, numerical dispersion was reduced. These improvements enhance the joint model's prediction accuracy and speed for adsorbent adsorption behavior considering particle size distribution, enabling the model to demonstrate strong application potential in fixed-bed adsorption simulation and prediction.
{"title":"An optimized method for solution of fixed-bed adsorption model considering particle-size distribution via method of characteristics","authors":"Zhaoyuan Zhang , Yidan Shu","doi":"10.1016/j.ceja.2025.100926","DOIUrl":"10.1016/j.ceja.2025.100926","url":null,"abstract":"<div><div>Fixed-bed adsorption is widely used for gas separation. In published work, to consider the impact of adsorbent particle size distribution in fixed-bed adsorption, a novel model integrating population balance equation (PBE) and mass transfer equation was proposed. However, when the PBE problem is high-dimensional, tremendous computation burden is usually unavoidable using numerical method, i.e. high-resolution finite volume algorithm. In this work, we develop an optimized solution algorithm that combines the analytical method of characteristics (MOC) and discrete numerical solving to accelerate the solution of PBE. Comparative analysis of computational performance was conducted between the optimized algorithm and the high-resolution finite volume algorithm. It was demonstrated that the optimized algorithm significantly outperforms the high-resolution method in computational resource consumption while maintaining solution consistency. Moreover, numerical dispersion was reduced. These improvements enhance the joint model's prediction accuracy and speed for adsorbent adsorption behavior considering particle size distribution, enabling the model to demonstrate strong application potential in fixed-bed adsorption simulation and prediction.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100926"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100928
Upayan Anam , Ananya Chakraborty , Md. Khalid Saifullah , Tanmoy Gupta , Md. Selim Reza , Mst. Afifa Khatun , Farzana Mim , Mohammad Moniruzzaman , Md. Kamruzzaman Munshi , Mohammad Amzad Hossain , Mohammed Mahbub Iqbal
Tubificid worms, common aquatic benthic invertebrates, serve as a pathway for toxicants such as microplastics (MPs) and heavy metals (HMs) to enter the food chain in tropical freshwater ecosystems. This study provides the first detailed ecotoxicological assessment of MP and HM contamination in tubificids, along with water and sediment, from six sites along the Surma River in Bangladesh. The highest MP abundance were observed at Site 3, with 823.33±29.627 items/L in water, 39±5.29 items/g in sediment, and 214.17±25.73 items/g in tubificids. MP particles were mostly fragments and fibres, accounting for approximately 60% of the total. Nearly 70 % of MP particle sizes were below 500 µm, and PE, PET, and PMMA were identified as the dominant polymers in ATR-FTIR analysis. Conversely, ICP-MS revealed elevated HM concentration in tubificids, particularly Pb, As, and Zn. Risk assessment indices identified high-hazard polymer categories among MPs, while in case of HM, Cd individually exhibited significant ecological risk. MPs (BCF & BSAF > 1) and HMs (BCF > 5000 for As; BSAF > 1 for Pb, Cd, Zn) bioaccumulation indices indicated potential contaminant uptake in worms. Multivariate analysis revealed co-contamination of MPs and HMs in tubificids, with ABS and PA positively correlating with Zn and Ni, suggesting the possibility of similar sources or uptake mechanisms. These results support that tubificids at the sediment-water interface accumulate MPs and HMs, with the potential ability to increase the risk of biomagnification in freshwater food webs. This underscores the need for integrated biomonitoring and pollution control in aquatic ecosystems.
{"title":"Tubificid worms reveal hidden pollutants in tropical upstream freshwater ecosystem","authors":"Upayan Anam , Ananya Chakraborty , Md. Khalid Saifullah , Tanmoy Gupta , Md. Selim Reza , Mst. Afifa Khatun , Farzana Mim , Mohammad Moniruzzaman , Md. Kamruzzaman Munshi , Mohammad Amzad Hossain , Mohammed Mahbub Iqbal","doi":"10.1016/j.ceja.2025.100928","DOIUrl":"10.1016/j.ceja.2025.100928","url":null,"abstract":"<div><div>Tubificid worms, common aquatic benthic invertebrates, serve as a pathway for toxicants such as microplastics (MPs) and heavy metals (HMs) to enter the food chain in tropical freshwater ecosystems. This study provides the first detailed ecotoxicological assessment of MP and HM contamination in tubificids, along with water and sediment, from six sites along the Surma River in Bangladesh. The highest MP abundance were observed at Site 3, with 823.33±29.627 items/L in water, 39±5.29 items/g in sediment, and 214.17±25.73 items/g in tubificids. MP particles were mostly fragments and fibres, accounting for approximately 60% of the total. Nearly 70 % of MP particle sizes were below 500 µm, and PE, PET, and PMMA were identified as the dominant polymers in ATR-FTIR analysis. Conversely, ICP-MS revealed elevated HM concentration in tubificids, particularly Pb, As, and Zn. Risk assessment indices identified high-hazard polymer categories among MPs, while in case of HM, Cd individually exhibited significant ecological risk. MPs (BCF & BSAF > 1) and HMs (BCF > 5000 for As; BSAF > 1 for Pb, Cd, Zn) bioaccumulation indices indicated potential contaminant uptake in worms. Multivariate analysis revealed co-contamination of MPs and HMs in tubificids, with ABS and PA positively correlating with Zn and Ni, suggesting the possibility of similar sources or uptake mechanisms. These results support that tubificids at the sediment-water interface accumulate MPs and HMs, with the potential ability to increase the risk of biomagnification in freshwater food webs. This underscores the need for integrated biomonitoring and pollution control in aquatic ecosystems.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100928"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145412891","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100937
Saeed Ashtiani , Bing Wu , Mehdi Khoshnamvand , Josef Schneider , Jana Floreková , Jakub Regner , Payal Chauhan , Zdeněk Sofer , Karel Friess
We report a multifunctional 2D-MXene-based nanocomposite that simultaneously tackles pollution in both air and water. Cationic CoFe₂O₄ nanoparticles were grafted onto anionic Ti₃C₂Tₓ sheets and aligned within a polyethersulfone matrix using magnetic field-assisted deposition. The resulting films synergically combine structural order with high stability, magnetic responsiveness, and exceptional sorption capacity. Furthermore, the material exhibits outstanding gas separation performance, with an O2 permeability of 67 Barrer and an O₂/N₂ selectivity of 11.5, surpassing the Robeson upper bound across the temperature range from 298 to 350 K and at feed pressures from 0.1 to 2 bar. At the same time, the 2D-MXene-based nanocomposite demonstrated the ability to eliminate 98.8% of polystyrene nanoplastics from water across a wide pH range (2–12) through a synergistic mechanism involving adsorption and magnetism. These dual functionalities arise from enhanced free volume, paramagnetic interactions, and tailored interfacial chemistry. The exceptional character of MNP-MXene/PES as an efficient, versatile platform for molecular separations is underscored by its ability to provide high-performance gas separation and efficient nanoplastic remediation from water. It can undoubtedly be applied to sustainable, next-generation separation technologies.
{"title":"Demonstrating the potential of versatile single-crystal spinel magnetic CoFe₂O₄-Ti₃C₂Tₓ MXene-based hybrid platforms for multifaceted nano-level separations in gas and liquid phases","authors":"Saeed Ashtiani , Bing Wu , Mehdi Khoshnamvand , Josef Schneider , Jana Floreková , Jakub Regner , Payal Chauhan , Zdeněk Sofer , Karel Friess","doi":"10.1016/j.ceja.2025.100937","DOIUrl":"10.1016/j.ceja.2025.100937","url":null,"abstract":"<div><div>We report a multifunctional 2D-MXene-based nanocomposite that simultaneously tackles pollution in both air and water. Cationic CoFe₂O₄ nanoparticles were grafted onto anionic Ti₃C₂Tₓ sheets and aligned within a polyethersulfone matrix using magnetic field-assisted deposition. The resulting films synergically combine structural order with high stability, magnetic responsiveness, and exceptional sorption capacity. Furthermore, the material exhibits outstanding gas separation performance, with an O<sub>2</sub> permeability of 67 Barrer and an O₂/N₂ selectivity of 11.5, surpassing the Robeson upper bound across the temperature range from 298 to 350 K and at feed pressures from 0.1 to 2 bar. At the same time, the 2D-MXene-based nanocomposite demonstrated the ability to eliminate 98.8% of polystyrene nanoplastics from water across a wide pH range (2–12) through a synergistic mechanism involving adsorption and magnetism. These dual functionalities arise from enhanced free volume, paramagnetic interactions, and tailored interfacial chemistry. The exceptional character of MNP-MXene/PES as an efficient, versatile platform for molecular separations is underscored by its ability to provide high-performance gas separation and efficient nanoplastic remediation from water. It can undoubtedly be applied to sustainable, next-generation separation technologies.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100937"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462622","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-01DOI: 10.1016/j.ceja.2025.100940
Monjur Mourshed , Robel Ahmed , Md. Rejuan Ahmed , N.N. Mustafi
This study investigates the development and optimization of a biogas-based polygeneration system designed for rural communities in developing countries. The system, utilizing cow dung as its primary feedstock, attains a total cumulative biogas yield of 2289 L over 15 days, equivalent to 95 % of its theoretical capacity. By incorporating cupric nitrate [Cu(NO3)2] as a chemical additive, the methane concentration in biogas is enhanced from 67 % to 72 %, and water scrubbing further increases it to 83 %, making the biogas suitable for cooking, electricity generation, and water purification simultaneously. Economic analysis revealed a production cost of 0.091 USD per liter of biogas while integrating photovoltaic panels can enhance system stability and reduce reliance on biogas alone. The optimized configuration, consisting of 4 kW PV modules, seven batteries, and a 1 kW generator, achieves an energy cost of US$ 0.118/kWh and a total life-cycle cost of US$ 8586. Environmental assessments show significant reductions in greenhouse gas emissions, including a 93 % decrement in global warming potential compared to traditional landfilling methods, along with minimal acidification potential and negligible organic pollutant release. Response Surface Methodology (RSM) was used to model the system and optimize the key parameters, including operating temperature (32 °C), pH (6.9), hydraulic retention time (16 days), and stirring speed (60 rpm), achieving a maximum biogas yield of 581.34 ml/day. These findings confirm the system's viability as a clean, cost-effective, and environmentally sustainable energy solution for rural energy challenges.
{"title":"Polygeneration system based on anaerobic digestion: A sustainable energy solution for rural community in developing countries","authors":"Monjur Mourshed , Robel Ahmed , Md. Rejuan Ahmed , N.N. Mustafi","doi":"10.1016/j.ceja.2025.100940","DOIUrl":"10.1016/j.ceja.2025.100940","url":null,"abstract":"<div><div>This study investigates the development and optimization of a biogas-based polygeneration system designed for rural communities in developing countries. The system, utilizing cow dung as its primary feedstock, attains a total cumulative biogas yield of 2289 L over 15 days, equivalent to 95 % of its theoretical capacity. By incorporating cupric nitrate [Cu(NO<sub>3</sub>)<sub>2</sub>] as a chemical additive, the methane concentration in biogas is enhanced from 67 % to 72 %, and water scrubbing further increases it to 83 %, making the biogas suitable for cooking, electricity generation, and water purification simultaneously. Economic analysis revealed a production cost of 0.091 USD per liter of biogas while integrating photovoltaic panels can enhance system stability and reduce reliance on biogas alone. The optimized configuration, consisting of 4 kW PV modules, seven batteries, and a 1 kW generator, achieves an energy cost of US$ 0.118/kWh and a total life-cycle cost of US$ 8586. Environmental assessments show significant reductions in greenhouse gas emissions, including a 93 % decrement in global warming potential compared to traditional landfilling methods, along with minimal acidification potential and negligible organic pollutant release. Response Surface Methodology (RSM) was used to model the system and optimize the key parameters, including operating temperature (32 °C), pH (6.9), hydraulic retention time (16 days), and stirring speed (60 rpm), achieving a maximum biogas yield of 581.34 ml/day. These findings confirm the system's viability as a clean, cost-effective, and environmentally sustainable energy solution for rural energy challenges.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"24 ","pages":"Article 100940"},"PeriodicalIF":7.1,"publicationDate":"2025-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145462731","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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