Chemical Engineering Journal Advances最新文献

{"title":"Metal accumulation and tolerance mechanisms in Potamogeton crispus under single-metal exposure to Cd, Zn, Ni and Li: Implications for phytoremediation of metal-contaminated waters","authors":"Xu Zhang ,&nbsp;Mingyu Han ,&nbsp;Menglong Xing ,&nbsp;Xianhao Zhang ,&nbsp;Liping Qiu ,&nbsp;Lei Zhang ,&nbsp;Yanhao Zhang ,&nbsp;Dajiang Yan ,&nbsp;Zhibin Zhang","doi":"10.1016/j.ceja.2025.101014","DOIUrl":"10.1016/j.ceja.2025.101014","url":null,"abstract":"<div><div>This study evaluated the submerged macrophyte <em>Potamogeton crispus</em> for its ability to accumulate cadmium (Cd), zinc (Zn), nickel (Ni), and lithium (Li) in metal-contaminated waters and its suitability for phytoremediation. A 70-day static mesocosm experiment was performed in which four independent single-metal exposure series (Cd, Zn, Ni, and Li) were established, each with four concentration levels and one metal-free control; water and plant samples were regularly collected. Metal concentrations were quantified by flame atomic absorption spectrometry, and scanning electron microscopy coupled with energy-dispersive spectroscopy (SEM-EDS), Fourier-transform infrared spectroscopy (FTIR), and thermogravimetric analysis (TGA) were used to probe microstructural changes, functional-group interactions, and thermal stability under metal stress. <em>Potamogeton crispus</em> showed strong accumulation capacity for all four metals, with concentration-dependent uptake; maximum accumulation occurred for Zn (up to 885.38 mg·kg⁻¹), followed by Ni, Cd, and Li. Low-concentration exposure stimulated plant growth, suggesting hormesis, whereas high concentrations suppressed growth and induced visible toxicity, indicating a tolerance threshold. SEM-EDS showed surface roughening, particle aggregation, and metal deposits, consistent with cell-wall-based immobilization and structural damage at high concentrations. FTIR spectra indicated that hydroxyl, carboxyl, and amide groups are key sites for metal binding, as reflected by changes in band intensity and peak shifts. TGA profiles showed that metal exposure modified thermal decomposition and increased residual mass, consistent with partial stabilization of organic matter through metal–organic associations. Overall, this multi-scale analysis demonstrates the robust accumulation capacity and moderate tolerance of <em>P. crispus</em> to Cd, Zn, Ni, and Li under single-metal exposure, provides baseline data for evaluating its use in remediating waters polluted by mixtures of traditional and emerging metals, and offers mechanistic insights to inform future multi-metal experiments.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101014"},"PeriodicalIF":7.1,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938914","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}

{"title":"Understanding of indium-gallium-zinc oxide wet etching in acidic solutions: Reaction mechanism, kinetics, and surface properties","authors":"Wonje Lee,&nbsp;Sangwoo Lim","doi":"10.1016/j.ceja.2025.101016","DOIUrl":"10.1016/j.ceja.2025.101016","url":null,"abstract":"<div><div>Integrating indium-gallium-zinc oxide (IGZO) as a channel material in transistors requires precise control of the etching process, necessitating a thorough understanding of the mechanism of IGZO etching using various etchants. This study investigated the etching behavior of IGZO in HCl, H₃PO₄, H₂SO₄, and H₂C₂O_4, and a reaction mechanism is proposed. The rate-determining step of the proposed mechanism is identified, and a rate equation for the etching reaction is derived. The etching rate of IGZO in acidic etchants was found to be governed not only by [H⁺], but also by anion attachment and detachment reactions, metal dissolution, and the anion concentration near the IGZO surface. The reaction rate constant and order of IGZO etching are interpreted based on the chemical and physical properties of the anions and anion-bonded IGZO surface, including the nucleophilicity of the anions, bonding strength between the anions and the IGZO surface, surface potential induced by the adsorbed anions, ionic radius, and physicochemical properties of the surface-anion complexes. Furthermore, the etching rate critically depends on the local anion concentration adjacent to the IGZO surface rather than the bulk anion concentration. It is influenced by mass transport through the solution. Additionally, differences in etching behavior of the various metal oxide constituents of IGZO increase the surface roughness of the etched sample and result in spatial variations in the surface potential.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101016"},"PeriodicalIF":7.1,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938990","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}

{"title":"Dual-functional electron transport layer design: built-in electric field and defect passivation for efficient perovskite solar cells","authors":"Aseel j. Mohammed ,&nbsp;Wala Dizayee ,&nbsp;Ali yousuf khenyab ,&nbsp;Mohammed Ahmed Mohammed ,&nbsp;Mohammed Zorah ,&nbsp;Zainab Shaker Matar Al-Husseini ,&nbsp;Mohamed Shabbir Abdulnabi ,&nbsp;G. Abdulkareem-Alsultan ,&nbsp;Maadh Fawzi Nassar","doi":"10.1016/j.ceja.2025.101012","DOIUrl":"10.1016/j.ceja.2025.101012","url":null,"abstract":"<div><div>The electron transport layer (ETL) is a significant aspect of perovskite solar cells (PSCs) that affect their performance in terms of efficiency and lifetime. Our work proposes a new ETL design that integrates three components: a Zn₂SnO₄–ZnO (ZSO-ZO) heterojunction and the graphitic carbon nitride (g-C₃N₄) to create GCN/ZSO-ZO composite ETLs (or GCN/ZSO-ZO composite ETLs). The internal built-in electric field (BIEF) formed at the interface of ZSO-ZO plays an important role in charge separation and the movement of electrons towards their respective electrodes, while g-C₃N₄ accomplishes the task of surface defect passivation at the interface of perovskite and ETL. The result is that perovskite films on GCN/ZSO-ZO substrates have better crystallinity, larger grain sizes, lower trap densities, and less non-radiative recombination. GCN/ZSO-ZO solar cells achieved an outstanding power conversion efficiency (PCE) of 23.5%, which is higher than that of reference cells with ZSO or ZSO-ZO electron transport layers (ETLs) only. Furthermore, the cells demonstrated an excellent long-term thermal and environmental stability with more than 90% of their initial power conversion efficiency retained after testing over 1200 h. The work in the present study demonstrates a facile and scalable approach to co-optimize IDF and PPF effects, which also tunes passivation for enhanced efficiency and stability in the next-generation PSCs.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101012"},"PeriodicalIF":7.1,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973196","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}

{"title":"Green synthesis of chitosan-functionalized silver nanoparticles using non-thermal plasma as biocompatible antimicrobials against multidrug-resistant pathogens","authors":"Tirtha Raj Acharya ,&nbsp;Manorma Negi ,&nbsp;Prajwal Lamichhane ,&nbsp;Apurva Jaiswal ,&nbsp;Oat Bahadur Dhakal ,&nbsp;Sandhya Gautam ,&nbsp;JunYoung Park ,&nbsp;Rizwan Wahab ,&nbsp;Abdulaziz A. Al-Khedhairy ,&nbsp;Neha Kaushik ,&nbsp;Eun Ha Choi ,&nbsp;Nagendra Kumar Kaushik","doi":"10.1016/j.ceja.2025.101010","DOIUrl":"10.1016/j.ceja.2025.101010","url":null,"abstract":"<div><div>Antimicrobial resistance (AMR) demands alternative strategies to overcome the restrictions of conventional antibiotics. This study reports the green synthesis of chitosan-functionalized silver nanoparticles (CS-AgNPs) in a one-step process at room temperature by employing a non-thermal plasma (NTP) process in an aqueous phase without using any hazardous reducing agent. Ar/H₂ plasma generated highly reactive species, thus enabling rapid Ag⁺ reduction and simultaneously acting as a chitosan capping agent to produce crystalline, monodisperse nanoparticles. FTIR, Raman, XPS, and TEM analyses confirmed strong chitosan coordination (Ag–N, Ag–O) and uniform elemental distribution. CS-AgNPs displayed dose-dependent antibacterial activity against multidrug-resistant <em>Escherichia coli, Salmonella enterica</em>, and <em>Streptococcus mutans</em>, inhibiting their growth in the concentration range 2.34–4.69 µg/mL and reducing their colony-forming unit (CFU) count to a maximum of 1 log unit at 75 µg/mL. Cytotoxicity tests revealed that CS-AgNPs do not have any detrimental effects on RAW 264.7 and HT-29 cells at 37.5 µg/mL. CS-AgNPs inhibited the virulence genes SPI-1 and SPI-2 of Salmonella enterica, hence reducing its adhesion, invasion, and survival inside cells. These results pointed out that CS-AgNPs study in a two-step mode of action, with direct bactericidal activity and suppression of bacterial virulence, while keeping the viability of host cells intact. In conclusion, the NTP synthesized CS-AgNPs provides a biocompatible, effective, and sustainable platform to address the growing threat caused by AMR pathogens, with further applications in infection control and biomedical devices.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101010"},"PeriodicalIF":7.1,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938913","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}

{"title":"Sustainable removal of methylene blue using minimally modified hydrochar from durian peels with experimental adsorption and density functional theory studies","authors":"Piangjai Peerakiatkhajohn ,&nbsp;Praewa Wongburi ,&nbsp;Kamonwat Nakason ,&nbsp;Bunyarit Panyapinyopol ,&nbsp;Khanin Nueangnoraj ,&nbsp;Phongphot Sakulaue ,&nbsp;Davide Poggio ,&nbsp;William Nimmo ,&nbsp;Jakkapon Phanthuwongpakdee","doi":"10.1016/j.ceja.2025.101011","DOIUrl":"10.1016/j.ceja.2025.101011","url":null,"abstract":"<div><div>This study investigated the use of hydrochar (HC) derived from durian peels as an adsorbent for removing methylene blue (MB) from an aqueous environment. HC was synthesized from durian peels using hydrothermal carbonization under varying temperature (160 – 200 °C) and time (2 – 6 h) conditions. The optimal condition 180 °C for 2 h (HC-180–2) was identified. HC-180–2 was evaluated in MB adsorption experiments and adsorbent characterization. It achieved a maximum MB adsorption capacity (<em>q</em>) of 51.6 mg/g at room temperature, reaching equilibrium within 150 min, and the <em>q</em> value increased to 59.2 mg/g at 65 °C. The adsorption followed pseudo-second-order kinetics (R² = 0.996) and Langmuir isothermal behavior (R² = 0.996), indicating chemisorption on energetically uniform adsorption sites. Thermodynamic analysis yielded Gibbs free energy values ranging from -43.0 to -55.3 kJ/mol and an enthalpy change of 48.5 kJ/mol, which further confirmed the spontaneous and endothermic nature of the chemisorption process. The surface area of HC-180–2 increased from 3.04 to 6.36 m²/g compared to the biomass, confirming the chemisorption and dependence on chemical functionality rather than physical surface area. Structural characterizations revealed enhanced aromatization and functional group formation, including sulfone and ester groups. Density functional theory calculations revealed two possible HC-MB conformation with adsorption mechanisms involving hydrogen bonding, π-π stacking and π-sulfur interactions. The chemisorption nature was also confirmed through Quantum Theory of Atoms in Molecules electron density pathway analysis. While the adsorption capacity was moderate compared to chemically modified adsorbents, the minimally processed durian peels HC positioned itself as a promising green alternative for MB removal.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101011"},"PeriodicalIF":7.1,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938915","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}

{"title":"Development of aerobic micro granular sludge in a sequencing batch airlift reactor for simultaneous removal of COD, NH4+, PO43-, and SO42-","authors":"Kunnath Saidalavi Shameem ,&nbsp;Pothanamkandathil Chacko Sabumon","doi":"10.1016/j.ceja.2025.101006","DOIUrl":"10.1016/j.ceja.2025.101006","url":null,"abstract":"<div><div>This study investigates the long-term effectiveness of an automated Sequencing Batch Airlift Reactor (SBAR) in simultaneous removal of COD, NH₄⁺, PO₄³, and SO₄²⁻ by developing aerobic micro granular sludge. For this an automated SBAR (3 L capacity) with pH and DO controls, operated for 8 h (short) followed by 16 h (long) cycles; was employed using synthetic wastewater over a year. This study operated in six different phases with durations of 23, 27, 73, 125, 67, and 52 days, respectively within a temperature range of 31.5 ± 3.5 °C. During the entire phases, influent concentrations were maintained approximately at NH₄⁺-<em>N</em> = 50 mg/L, COD = 480 mg/L, and SO₄²⁻-<em>S</em> = 35 mg/L, while PO₄³⁻-P was maintained at 10 mg/L for Phases I–IV and then decreased to 5 mg/L for Phases V–VI. Sludge was not wasted during the entire operation from SBAR and thus maintained a very high solids retention time (SRT) to promote the growth of slow growing bacteria like anammox and achieved zero sludge discharge. In the stabilized conditions in the final phase, the SBAR performed well for an average simultaneous removal of COD (96.67 ± 1.17%), NH₄⁺-N (91.70 ± 3.66%), TN (83.21 ± 3.61%), PO₄³⁻-P (91.37 ± 1.55%) and SO₄²⁻-S (70.73 ± 4.13%). Batch studies and microbial identification studies carried out using biomass drawn from SBAR showed that mixed culture involving anammox, autotrophic nitrification, heterotrophic denitrification, thiobacillus denitrification, and heterotrophic nitrification and aerobic denitrification (HN-AD) played significant roles in nitrogen removal. Enhanced phosphate removal was achieved by P binding to loosely bound extracellular polymeric substances in addition to the enhanced biological phosphorus removal. Overall, these findings highlight the effectiveness in cultivating majorly aerobic micro granular sludge and sustainability of the SBAR in simultaneous removal of COD, NH₄⁺, PO₄³⁻, and SO₄²⁻. The developed process could be a good choice for decentralized wastewater treatment systems, particularly in resource-constrained regions and contributes to achieving United Nations Sustainable Development Goal #6.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101006"},"PeriodicalIF":7.1,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938847","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}

{"title":"Experimental modeling and optimization of CO2 absorption into MDEA-sulfolane solution using RSM and ANNs","authors":"Abolfazl Shokri,&nbsp;Faezeh Mirshafiee,&nbsp;Ahad Ghaemi","doi":"10.1016/j.ceja.2025.101009","DOIUrl":"10.1016/j.ceja.2025.101009","url":null,"abstract":"<div><div>This research studies the modelling and optimization of CO₂ absorption in a mixed MDEA-Sulfolane solvent system using response surface methodology (RSM), multilayer perceptron (MLP), and radial basis function (RBF) approaches. Experimental data from a stirred reactor were collected with five input parameters, including temperature in the range of 20–70 °C, pressure in the range of 2–8 bar, sulfolane concentration in the range of 10–20 mol/L, MDEA concentration in the range of 10–20 mol/L, and time in the range of 60–3600 s. Two main output responses, CO₂ loading in the range of 0.0094–0.3627 and mass transfer flux of 0.00023–0.00782 mol/m².s, were examined. The modeling results showed that the MLP network provided the highest predictive accuracy, with K-fold-validated R² values of 0.9999 for CO₂ loading and 0.9863 for mass-transfer flux, outperforming both the RBF model (R² ≈ 0.9993–0.9885) and RSM (R² ≈ 0.9800–0.9563). The optimal MLP structure used 55 neurons, selected through systematic evaluation to prevent overfitting. Optimization using RSM and ANN–GA produced closely matching results. For the flux-optimum, both methods identified the same operating point (24.77 °C, 7.995 bar, 19.98 mol L⁻¹ sulfolane, 19.998 mol L⁻¹ MDEA, 60.01 s), with predicted fluxes of 0.0090 (RSM) and 0.0089 mol m⁻² s⁻¹ (MLP–GA). For the loading-optimum (at 20 °C, 8 bar, 10 mol L⁻¹ sulfolane, 13.30 mol L⁻¹ MDEA, 3552 s), RSM predicted 0.4510, while MLP–GA predicted 0.4301, corresponding to a small deviation of 4.63 %. Overall, the strong consistency between RSM and ANN–GA confirms the reliability of the ANN framework for predicting and optimizing CO₂ absorption performance in hybrid solvent systems.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101009"},"PeriodicalIF":7.1,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938750","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}

{"title":"Experimental and kinetic insights into enzymatic synthesis of phosphatidylglycerol in an oscillatory baffled reactor","authors":"Jianyu Wang ,&nbsp;Rachel A. Scullion ,&nbsp;James Birbeck ,&nbsp;Xiongwei Ni","doi":"10.1016/j.ceja.2025.101004","DOIUrl":"10.1016/j.ceja.2025.101004","url":null,"abstract":"<div><div>Phosphatidylglycerol (PG) is a valuable product across pharmaceuticals, cosmetics and food industries, the conventional phospholipase D (PLD) syntheses however require organic solvents and very long reaction times to reach 50–74 % yield at millilitre scale. The novelty of this study is that we have developed a solvent-free, fully aqueous synthesis route of PG using PLD-catalysed transphosphatidylation of phosphatidylcholine (PC) with glycerol in a 250 mL oscillatory baffled reactor (OBR). By optimising temperature, PLD concentration, glycerol-to-PC ratio and mixing, we achieved 63.5 % PG conversion within 20 min with no detectable byproduct. Time-resolved kinetic analysis has revealed a three-phase mechanism in this reaction: an initial Michaelis–Menten behaviour, followed by product inhibition and eventual enzyme deactivation. We have then developed a multi-parameter kinetic model integrating intrinsic enzyme kinetics with operational variables, enabling quantitative predictions of reaction concentration, conversion and selectivity at high confidence level (R2&gt;0.95). Coupling the green, solvent-free process with reactor intensification and mechanistic modelling establishes a scalable framework for PG manufacture and offers regulatory and sustainability advantages by avoiding volatile organic solvents and simplifying downstream processing.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101004"},"PeriodicalIF":7.1,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145938843","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}

{"title":"Heat transfer improvement in metal hydride hydrogen storage systems: State of the art review and bibliometric analysis","authors":"Babak Rezapour Dolagh,&nbsp;Samane Ghandehariun","doi":"10.1016/j.ceja.2025.101001","DOIUrl":"10.1016/j.ceja.2025.101001","url":null,"abstract":"<div><div>Hydrogen storage is an important challenge in the advancement of hydrogen-based technology. This review provides a comprehensive overview of hydrogen storage in metal hydrides (MHs), with a particular focus on important topics such as sintering effect, additives, metal foam, fins, heat transfer fluid and phase change material configurations, and integration with power systems. Also, this review aims to identify emerging research trends, highlight existing gaps, and provide insights into future research directions in both MH alloy development and tank design through a combined bibliometric and systematic approach. A bibliometric analysis was performed to analyze research trends in this field by considering co-occurrence frequencies of the 2277 articles. The results showed that, in the field of MH alloys, enhancing thermal conductivity, reducing cycle stability duration, and improving storage capacity are the main challenges. For the MH tanks, it was observed that for low-temperature MH tanks, the storage capacity and absorption/desorption time are important for the integration with the fuel cell system, and for high-temperature MH tanks, the shape of the heat transfer fluid pipe, thermal conductivity of the MH bed and phase change material are important for integrating with power cycles. The findings revealed that these systems could achieve maximum energy and exergy efficiencies of 77.1 % and 59.5 %, respectively.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101001"},"PeriodicalIF":7.1,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073714","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}

{"title":"Modeling the Effectiveness of Chemical Reactions in Magnetized Nanofluids: The Influence of Activation Energy and CattaneoChristov Transport Phenomena","authors":"Saleem Nasir ,&nbsp;Abdallah S. Berrouk ,&nbsp;Asim Aamir","doi":"10.1016/j.ceja.2025.101005","DOIUrl":"10.1016/j.ceja.2025.101005","url":null,"abstract":"<div><div>The remarkable capacity of artificial neural networks to simulate complex and nonlinear mathematical phenomena, particularly in domains such as thermal engineering and nanotechnology, is a primary reason for their widespread application. Thus, ANNs provide a flexible computational framework that can be applied in a wide range of fields, including fluid mechanics, biological sciences, and computational biology. In this work, the boundary-layer flow and heat transfer properties of a magnetized Powell-Eyring nanofluid containing microorganisms across a bidirectional stretchable sheet are analyzed using a computational ANN paradigm. The model considers the combined effects of Darcy-Forchheimer, thermal radiation, and internal heat generation, as well as modified CattaneoChristov heat and mass flux, magnetohydrodynamics (MHD), and activation energy. The governing system of equations is reduced to a set of nonlinear ordinary differential equations through a similarity transformation. The BVP4C solver in MATLAB is then used to numerically solve the ODEs. An Artificial Neural Network Backpropagation Levenberg–Marquardt technique (ANN-BPLMT) customized for the radiative Powell-Eyring nanofluid system is trained using the resultant numerical solutions as a reference dataset. The numerical solutions are then approximated under various parametric settings by training, testing, and validating the LMT-ABPNN. Performance indicators, including mean squared error, fitness curves, error histograms, and statistical transition analyses, are used to validate models. The results reveal that the numerical reference data and the ANN predictions correspond extremely well. The high accuracy, robustness, and predictive reliability of the suggested LMT-ABPNN framework for simulating radiative Powell-Eyring nanofluid flows are confirmed by the low MSE and minimal absolute error, both of which approach zero.</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101005"},"PeriodicalIF":7.1,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973191","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}