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Interfacial rearrangement and nanomechanics of confined droplets stabilized by Janus and polymer-grafted nanoparticles Janus和聚合物接枝纳米颗粒稳定液滴的界面重排和纳米力学
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-09 DOI: 10.1016/j.ceja.2026.101038
Sota Doniwa , Yusei Kobayashi , Masashi Yamakawa
Despite extensive research on Pickering emulsions, the influence of interfacial organization near solid walls, and the distinct mechanical roles of Janus nanoparticles (NPs) versus polymer-grafted nanoparticles (GNPs) under confinement, remains incompletely understood. In this study, coarse-grained molecular dynamics simulations of Pickering droplets were used to clarify how nanoparticle architecture and interfacial coverage govern nanomechanical response during compression against a solid wall. The droplets were stabilized either by Janus NPs or by GNPs and compressed between a solid wall and a virtual planar indenter. For Janus NP-stabilized droplets, compressive stability cannot be predicted solely from the conventional static indicator based on droplet asphericity because droplets with similar asphericity at rest can fail at markedly different stresses. Instead, the number and spatial distribution of uncovered patches on the wall-facing interface dictate both the failure stress and the rupture pathway. In contrast, GNPs suppress persistent uncovered patches because the grafted polymer brushes generate steric repulsion and spread along the interface. This greatly reduces sensitivity to particle arrangement near the wall and yields consistently higher compressive strength than Janus NP-stabilized droplets at comparable surface coverage. By varying the grafting density, we show that low densities permit strong lateral compaction of the adsorbed layer, producing sharp stress peaks, whereas higher densities lead to smoother, more collective deformation with limited rearrangement. These insights provide concrete molecular-level design principles for tuning interfacial assembly to achieve mechanically robust Pickering emulsions in applications such as drug delivery, microfluidic transport, and flow through porous media.
尽管对皮克林乳液进行了广泛的研究,但固体壁附近界面组织的影响,以及Janus纳米颗粒(NPs)与聚合物接枝纳米颗粒(GNPs)在约束下的不同力学作用仍未完全了解。在这项研究中,使用了皮克林液滴的粗粒度分子动力学模拟来阐明纳米颗粒的结构和界面覆盖如何影响固体壁面压缩时的纳米力学响应。液滴由Janus NPs或GNPs稳定,并在固体壁和虚拟平面压头之间压缩。对于Janus np稳定液滴,不能仅仅从基于液滴非球形的常规静态指标来预测压缩稳定性,因为具有相似非球形的液滴在静止时可能在明显不同的应力下失效。相反,面墙界面上未覆盖斑块的数量和空间分布决定了破坏应力和破裂路径。相比之下,GNPs抑制了持续的未覆盖的斑块,因为接枝的聚合物刷产生空间排斥力并沿着界面扩散。这大大降低了对壁面附近颗粒排列的敏感性,并且在相当的表面覆盖率下,与Janus np稳定液滴相比,其抗压强度始终更高。通过改变接枝密度,我们发现低密度允许吸附层的强侧向压实,产生尖锐的应力峰,而高密度导致更平滑,更集体的变形和有限的重排。这些见解为调整界面组装提供了具体的分子水平设计原则,以在药物输送、微流体输送和多孔介质流动等应用中实现机械坚固的皮克林乳液。
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引用次数: 0
Intermediate cellular regeneration counteracts the stop in methanol production from methane by Methylosinus trichosporium OB3b 中间细胞再生抵消了甲基三磷菌OB3b从甲烷生产甲醇的停止
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-08 DOI: 10.1016/j.ceja.2026.101036
Héloïse Baldo, Louis Cornette de Saint Cyr , Azariel Ruiz-Valencia , Eddy Petit, Loubna Karfane-Atfane, Marie-Pierre Belleville, José Sanchez-Marcano, Laurence Soussan
Methylosinus trichosporium OB3b stands out as a methanotrophic model strain, widely reported for its high productivity of exogenous methanol from methane. However, the development of this attractive bioprocess is hindered by a limited production time rounding 20 h. The causes of MeOH production stop are not fully understood yet. This work investigated potential cytotoxic impacts of EDTA and NaCl, enzymatic inhibitors together added in the reaction medium to avoid the spontaneous methanol overoxidation. The tested NaCl concentrations did not refrain bacterial cells from proliferating normally, discarding osmotic stress phenomena. But EDTA addition appeared mandatory to yield an efficient MeOH production. Up to date, EDTA precise mode of action is not fully understood and several hypotheses have been reported. In this study, prior EDTA saturation with Cu2+ ions had no effect on MeOH production, suggesting EDTA did not chelate MMO metallic cofactor. EDTA action was consequently assumed to target cell membrane compounds and affect cell integrity. Regenerating cells in their native culture conditions (i.e. without inhibitors) appeared allowing them to recover their hydroxylating activity and produce MeOH with a productivity similar to the initial one, in a faster way than re-cultivation of the bacteria.
Methylosinus trichosporium OB3b是一种甲烷营养模式菌株,因其从甲烷中提取外源甲醇的高产率而被广泛报道。然而,这种有吸引力的生物工艺的发展受到限制的生产时间约为20小时。MeOH生产停止的原因尚不完全清楚。本研究考察了EDTA和NaCl这两种酶抑制剂共同加入反应介质中以避免甲醇自发过氧化的潜在细胞毒性影响。NaCl浓度没有抑制细菌细胞的正常增殖,没有渗透胁迫现象。但EDTA的加入似乎是必须的,以产生有效的MeOH。迄今为止,EDTA的确切作用方式尚不完全清楚,已经报道了几种假设。在本研究中,先前EDTA与Cu2+离子的饱和对MeOH的产生没有影响,这表明EDTA没有螯合MMO金属辅因子。因此,EDTA的作用被认为是针对细胞膜化合物并影响细胞完整性。再生细胞在其原生培养条件下(即没有抑制剂)出现,使它们能够恢复其羟基化活性,并以与初始相似的生产率产生MeOH,比重新培养细菌更快。
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引用次数: 0
Strategies of designing advanced dual-functional metal-organic frameworks for sustainable wastewater treatment applications 设计先进的双功能金属-有机框架的可持续废水处理应用策略
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-08 DOI: 10.1016/j.ceja.2026.101040
Pasha W. Sayyad , Hassan Gomaa , Rana Sabouni
Metal-organic frameworks (MOFs) have emerged as promising materials for advanced wastewater treatment owing to their tunable structures and versatile functionalities. A myriad of studies has explored their role in detection, adsorption, and photocatalytic degradation. However, designing MOF-based composites capable of integrating dual functions within one framework remains a considerable challenge. As a result, and despite of their potential, dual-functional MOF systems are still relatively scarce and developing strategies to enable detection and removal/degradation of pollutants with single framework for environment applications has become the focus of many researchers. This review highlights cutting-edge strategies that advance the development of multifunctional MOF-based composites for wastewater treatment, along with future perspectives for their sustainable utilization, current challenges and future research directions. We believe this review would inspire researchers to explore emerging strategies to develop multifunctional MOF for advancing water treatment technologies toward next generation of sustainable environment applications.
金属有机骨架(mof)因其结构可调和功能多样而成为污水深度处理的重要材料。无数的研究已经探索了它们在检测、吸附和光催化降解中的作用。然而,设计能够在一个框架内集成双重功能的基于mof的复合材料仍然是一个相当大的挑战。因此,尽管具有潜力,但双功能MOF系统仍然相对稀缺,开发能够在单一框架下检测和去除/降解污染物的环境应用策略已成为许多研究人员关注的焦点。本文综述了用于污水处理的多功能mof基复合材料的发展前沿策略,以及其可持续利用的未来前景,当前的挑战和未来的研究方向。我们相信这一综述将激励研究人员探索开发多功能MOF的新兴策略,以推进水处理技术向下一代可持续环境应用。
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引用次数: 0
Occurrence and human health risks of microplastics in the Bay of Bengal using Perna viridis as sentinel species 微塑料在孟加拉湾的发生及其对人类健康的风险
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-08 DOI: 10.1016/j.ceja.2026.101039
Md.Abdullah Al Mamun Hridoy , Fatima Zahra Tagri , Chaira Bordin , Md.Hafijul Islam , Azeez Olalekan Baki , Md.Maynuddin Pathan , Arman Khan , Gift Samuel David , Monoara Akter Lima , S.M.Sertaz Islam , Paolo Pastorino
Microplastics (MPs) pollution is an increasing threat to marine environments, particularly in vulnerable areas such as the Bay of Bengal (BoB). This study assessed MP distribution and biological impacts in surface water, sediment, and Perna viridis tissues across five coastal stations in the BoB. MPs were isolated through density separation, digestion, and morphological analysis under stereomicroscopy, followed by polymer analysis using FTIR. MPs were detected in all environmental matrices and mussel tissues at every site. Surface water MPs ranged from 3.13 ± 0.46 to 8.94 ± 0.55 items/L, while sediment concentrations varied between 152 ± 54.32 and 540 ± 82.73 items/kg dry weight. Mussel tissues contained 2.4 ± 1.43 to 4.9 ± 2.69 items/g wet weight, with the digestive gland showing significantly higher accumulation than gills, visceral mass, and muscle (p < 0.001). Fibre-type MPs dominated all matrices. Particles <0.5 mm were most abundant in surface water, while particles 1–5 mm were most abundant in mussel tissues; both size classes were common in sediments. Polypropylene and low-density polyethene were the dominant polymers. Histological analysis revealed tissue damage and immune responses in mussels due to physiological stress. Multivariate analyses indicated site-specific MP profiles associated with local anthropogenic activities. Health risk assessment showed higher chronic daily intake and carcinogenic risk in children than adults, with polypropylene and polyvinyl chloride exceeding acceptable carcinogenic risk thresholds. These results emphasise the importance of ongoing monitoring and enhanced waste management strategies to safeguard coastal ecosystems and ensure the safety of seafood in the BoB.
微塑料污染对海洋环境的威胁越来越大,特别是在孟加拉湾(BoB)等脆弱地区。本研究评估了太平洋沿岸5个海岸站点的MP分布及其在地表水、沉积物和绿藻组织中的生物影响。通过密度分离、消化和体视显微镜下的形态分析分离MPs,然后用FTIR进行聚合物分析。在所有环境基质和贻贝组织中均检测到MPs。地表水MPs变化范围为3.13±0.46 ~ 8.94±0.55项/L,沉积物浓度变化范围为152±54.32 ~ 540±82.73项/kg干重。贻贝组织中含有2.4±1.43 ~ 4.9±2.69个物质/g湿重,其中消化腺的积累量显著高于鳃、内脏和肌肉(p < 0.001)。纤维型MPs在所有基质中占主导地位。0.5 mm颗粒在地表水中含量最多,1 ~ 5mm颗粒在贻贝组织中含量最多;这两种尺寸在沉积物中都很常见。聚丙烯和低密度聚乙烯是主要的聚合物。组织学分析揭示了贻贝在生理应激下的组织损伤和免疫反应。多变量分析表明,地点特异性MP谱与当地人为活动有关。健康风险评估显示,儿童的慢性每日摄入量和致癌风险高于成人,聚丙烯和聚氯乙烯超过可接受的致癌风险阈值。这些结果强调了持续监测和加强废物管理战略对保护沿海生态系统和确保鲍勃海产品安全的重要性。
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引用次数: 0
Hydrogen peroxide-assisted photoelectrocatalytic degradation of tetracycline by ZnFe2O4-decorated TiO2 nanotube arrays znfe2o4修饰TiO2纳米管阵列在过氧化氢辅助下的光电催化降解四环素
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-08 DOI: 10.1016/j.ceja.2026.101037
Elnaz Sheikhpour , Raheleh Nouhi , Mohsen Nekoeinia , Omran Moradlou
Photoactive materials with visible-light absorption have attracted considerable interest for the solar-driven photoelectrochemical (PEC) degradation of organic pollutants, particularly antibiotics. In this work, we develop a ZnFe2O4/TiO2 photoanode for the photoelectrochemical degradation of tetracycline (TC) under visible light, assisted by hydrogen peroxide (H2O2). The photoanode is prepared by hydrothermally decorating ZnFe2O4 nanoparticles onto TiO2 nanotube arrays (TNAs), where the ∼4 μm-long TNAs are first grown on Ti sheets via anodic polarization method. Under the optimized hydrothermal conditions (100°C for 12 h) for the growth of ZnFe2O4 on TNAs, the resulting photoanode exhibits a photocurrent density of 0.41 mA cm-2, achieving 67% TC degradation within 90 min. Upon the addition of a small amount of H2O2 (0.15%), the degradation efficiency increases to 95%, highlighting the role of reactive oxygen species generated through H2O2 decomposition, together with bias-induced charge separation, in enhancing the effectiveness of the proposed approach for removing organic pollutants from water. Kinetic studies further reveal that the rate constant of the H2O2-assisted PEC process (kobs) is 0.0347 min-1, which is 86.5 times higher than that for individual photolysis (∼4×10-4 min-1).
具有可见光吸收的光活性材料在太阳能驱动的光电化学(PEC)降解有机污染物,特别是抗生素方面引起了相当大的兴趣。在这项工作中,我们开发了一种ZnFe2O4/TiO2光阳极,用于在过氧化氢(H2O2)的辅助下在可见光下光电降解四环素(TC)。将纳米ZnFe2O4水热修饰在TiO2纳米管阵列(tna)上制备光阳极,通过阳极极化法首先在Ti片上生长~ 4 μm长的tna。在优化的水热条件下(100℃,12 h), ZnFe2O4在tna上生长,得到的光阳极的光电流密度为0.41 mA cm-2,在90 min内实现67%的TC降解。当添加少量H2O2(0.15%)时,降解效率提高到95%,突出H2O2分解产生的活性氧以及偏置诱导的电荷分离在提高该方法去除水中有机污染物的有效性方面的作用。动力学研究进一步表明,h2o2辅助PEC过程(kobs)的速率常数为0.0347 min-1,是单独光解过程的86.5倍(~ 4×10-4 min-1)。
{"title":"Hydrogen peroxide-assisted photoelectrocatalytic degradation of tetracycline by ZnFe2O4-decorated TiO2 nanotube arrays","authors":"Elnaz Sheikhpour ,&nbsp;Raheleh Nouhi ,&nbsp;Mohsen Nekoeinia ,&nbsp;Omran Moradlou","doi":"10.1016/j.ceja.2026.101037","DOIUrl":"10.1016/j.ceja.2026.101037","url":null,"abstract":"<div><div>Photoactive materials with visible-light absorption have attracted considerable interest for the solar-driven photoelectrochemical (PEC) degradation of organic pollutants, particularly antibiotics. In this work, we develop a ZnFe<sub>2</sub>O<sub>4</sub>/TiO<sub>2</sub> photoanode for the photoelectrochemical degradation of tetracycline (TC) under visible light, assisted by hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>). The photoanode is prepared by hydrothermally decorating ZnFe<sub>2</sub>O<sub>4</sub> nanoparticles onto TiO<sub>2</sub> nanotube arrays (TNAs), where the ∼4 μm-long TNAs are first grown on Ti sheets via anodic polarization method. Under the optimized hydrothermal conditions (100°C for 12 h) for the growth of ZnFe<sub>2</sub>O<sub>4</sub> on TNAs, the resulting photoanode exhibits a photocurrent density of 0.41 mA cm<sup>-2</sup>, achieving 67% TC degradation within 90 min. Upon the addition of a small amount of H<sub>2</sub>O<sub>2</sub> (0.15%), the degradation efficiency increases to 95%, highlighting the role of reactive oxygen species generated through H<sub>2</sub>O<sub>2</sub> decomposition, together with bias-induced charge separation, in enhancing the effectiveness of the proposed approach for removing organic pollutants from water. Kinetic studies further reveal that the rate constant of the H<sub>2</sub>O<sub>2</sub>-assisted PEC process (<em>k<sub>obs</sub></em>) is 0.0347 min<sup>-1</sup>, which is 86.5 times higher than that for individual photolysis (∼4×10<sup>-4</sup> min<sup>-1</sup>).</div></div>","PeriodicalId":9749,"journal":{"name":"Chemical Engineering Journal Advances","volume":"25 ","pages":"Article 101037"},"PeriodicalIF":7.1,"publicationDate":"2026-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034450","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}
引用次数: 0
Battery waste management: Tackling environmental, health, and resource challenges from growing waste 电池废物管理:应对日益增长的废物带来的环境、健康和资源挑战
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-07 DOI: 10.1016/j.ceja.2026.101033
Chaitanya Roy Chowdhury , Ani Biswas , Md. Golam Kibria , Monjur Mourshed
Improper disposal of rechargeable batteries, particularly lithium-ion, lead-acid, and nickel-cadmium types, poses serious risks to ecosystems anuman health due to the release of toxic metals. The global battery market is projected to grow from USD 139.9 billion in 2024 to USD 672.5 billion by 2034 at a CAGR of 17.0%, with lithium-ion batteries dominating due to their high energy density, while lead-acid and nickel-cadmium batteries pose unique recycling challenges related to heavy metal toxicity. This research work summarises state-of-the-art practices, challenges, and opportunities in battery waste management, focusing on degradation mechanisms and variables such as temperature, state of charge, and operating conditions. Battery degradation, influenced by calendar and cycle aging, operational factors like temperature and SOC, and maintenance practices, exacerbates waste generation and complicates recycling economics. Life cycle assessment reveals that lithium-ion batteries have a global warming potential of 50-313 kg CO₂-eq/kWh, primarily from cathode production, with recycling offering significant credits through avoided burdens. A Monte Carlo simulation of lithium-ion battery recycling shows profitability in 65.2% of cases, with an average annual profit of USD 0.91 million and breakeven at 9.59 million kg of processed mass. Recycling also cuts CO₂ emissions by up to 70.0 kg/kWh compared with virgin production, highlighting major environmental benefits. Profitability is driven by waste supply, active battery mass, and material revenue. The study emphasises the importance of circular economy strategies, battery degradation management, and second-life applications in achieving long-term environmental and economic sustainability in waste battery management.
处置不当的可充电电池,特别是锂离子电池、铅酸电池和镍镉电池,由于释放有毒金属,对生态系统和人类健康构成严重风险。全球电池市场预计将从2024年的1399亿美元增长到2034年的6725亿美元,复合年增长率为17.0%,其中锂离子电池因其高能量密度而占主导地位,而铅酸和镍镉电池则面临与重金属毒性相关的独特回收挑战。这项研究工作总结了电池废物管理的最新实践、挑战和机遇,重点关注降解机制和温度、充电状态和操作条件等变量。受日历和循环老化、温度和SOC等操作因素以及维护实践的影响,电池退化加剧了废物的产生,并使回收经济变得复杂。生命周期评估显示,锂离子电池的全球变暖潜能值为50-313 kg CO₂-eq/kWh,主要来自阴极生产,回收利用通过避免负担提供了重要的信用。对锂离子电池回收的蒙特卡罗模拟显示,65.2%的案例盈利,平均年利润为91万美元,加工质量为959万公斤时实现盈亏平衡。与首次生产相比,回收利用还可减少高达70.0 kg/kWh的二氧化碳排放量,突出了主要的环境效益。盈利能力是由废物供应、有效电池质量和材料收入驱动的。该研究强调了循环经济战略、电池退化管理和二次使用在实现废电池管理的长期环境和经济可持续性方面的重要性。
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引用次数: 0
Electrospun polyacrylonitrile/bio-based polyurethane composite membranes filled with ZIF-8 and MXene as durable, thermally stable, and high-ionic-conductivity separators for aqueous zinc-ion batteries 以ZIF-8和MXene填充的静电纺聚丙烯腈/生物基聚氨酯复合膜作为耐用、热稳定、高离子导电性的水锌离子电池隔膜
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-06 DOI: 10.1016/j.ceja.2026.101035
Nattapon Tanalue , Chutiwat Likitaporn , Peerawat Prathumrat , Wanwisa Limphirat , Tawan Wongsalam , Manunya Okhawilai , Pranut Potiyaraj
Aqueous zinc-ion batteries (AZIBs) are promising energy storage systems owing to their safety and low cost. However, internal short circuit failure caused by uncontrolled zinc plating is a major challenge. Here, we developed a dual-filler co-modified polyacrylonitrile (PAN)/bio-based polyurethane (PU) nanofibrous separator in which MXene was incorporated together with zeolitic imidazolate framework-8 (ZIF-8) into an electrospun 75/25 PAN/PU matrix. The concurrent presence of ZIF-8 and MXene establishes a multi-interfacial ion-regulation mechanism that homogenizes zinc ion flux and suppresses localized zinc deposition, enabling cooperative ion-transport modulation over using single-filler modification. The optimized 10%ZIF-8/MXene/PAN/PU membrane exhibited high electrolyte uptake of 2273 ± 31%, porosity of 99.4 ± 0.1%, ionic conductivity of 10.55 mS cm−1, and a zinc ion transference number of 0.63, facilitating uniform ion transport and reduced polarization. In zinc||zinc symmetric cells, the membrane maintained stable charge-discharge profiles for over 500 hrs. Systematic studies further revealed that electrospinning parameters and filler content critically influenced fiber morphology, porosity, and electrochemical performance, highlighting the significance of design optimization. Notably, the dual-filler strategy enabled improving electrochemical characteristics, directly demonstrating that the observed performance enhancement originated from the co-modification effect of ZIF-8 and MXene. These results provide a new co-regulation design concept for high-safety separators that enhance the performance, reliability, and durability of AZIBs.
水锌离子电池(azib)由于其安全性和低成本而成为一种很有前途的储能系统。然而,不受控制的镀锌引起的内部短路故障是主要的挑战。在这里,我们开发了一种双填料共改性聚丙烯腈(PAN)/生物基聚氨酯(PU)纳米纤维分离器,其中MXene与沸石咪唑酯框架-8 (ZIF-8)一起加入到静电纺丝75/25 PAN/PU基体中。ZIF-8和MXene的同时存在建立了一种多界面离子调节机制,使锌离子通量均匀化,抑制局部锌沉积,实现了比使用单一填料改性更有效的协同离子传输调制。优化后的10%ZIF-8/MXene/PAN/PU膜的电解质吸收率为2273±31%,孔隙率为99.4±0.1%,离子电导率为10.55 mS cm−1,锌离子转移数为0.63,离子传输均匀,极化降低。在锌||锌对称电池中,膜保持稳定的充放电曲线超过500小时。系统的研究进一步揭示了静电纺丝参数和填料含量对纤维形态、孔隙率和电化学性能的影响,突出了设计优化的意义。值得注意的是,双填料策略能够改善电化学特性,直接表明所观察到的性能增强源于ZIF-8和MXene的共改性效应。这些结果为提高azib的性能、可靠性和耐久性的高安全性分离器提供了一种新的协同调节设计理念。
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引用次数: 0
Sintering-resistant hollow porous CuO microspheres with multi-shelled architectures for durable renewable heat-driven thermochemical energy storage 具有多壳结构的耐烧结空心多孔CuO微球,用于耐用的可再生热驱动热化学储能
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-06 DOI: 10.1016/j.ceja.2026.101034
Hassan Agalit , Samuel D. Widijatmoko , Gary A. Leeke , Yulong Ding , Yongliang Li
Multi-shelled hollow (MSH) CuO microspheres were synthesised via a one-pot hydrothermal method to overcome severe sintering that limits the performance of conventional CuO during repeated high-temperature Redox cycling. The MSH microspheres were benchmarked against chemically doped layered double hydroxide (LDH) CuO and physically doped porous granules (PG) with Yttria-stabilised Zirconia (YSZ) CuO, which exhibit good cyclic stability but suffer from significantly reduced energy density due to high dopant contents. All MSH-CuO formulations successfully developed targeted multi-shell architecture, with the best formulation MSH-CuO (F1) achieving the best performance. It delivered the highest measured reaction enthalpy (750.3 J g-1) and an estimated energy density of 805.18 J g-1, approximately 71% higher than doped benchmark materials and close to the theoretical limit (810.8 J g-1). Excellent stability was confirmed through 10 consecutive cyclic redox tests, while SEM/EDS revealed highly porous post-cycled morphologies with no evidence of sintering. These findings demonstrate that the multi-shelled CuO architecture provides high energy density and rapid kinetics, achieving up to 112% higher reduction rates and up to 414% higher oxidation rates relative to the benchmark CuO materials. Most importantly, MSH architecture exhibits intrinsic sintering resistance, offering a promising dopant-free pathway for next-generation thermochemical energy-storage and chemical-looping systems.
采用一锅水热法合成了多壳空心(MSH) CuO微球,克服了常规CuO在重复高温氧化还原循环中严重烧结限制性能的问题。MSH微球与化学掺杂层状双氢氧化物(LDH) CuO和物理掺杂钇稳定氧化锆(YSZ) CuO的多孔颗粒(PG)进行了对比,两者具有良好的循环稳定性,但由于掺杂物含量高,能量密度明显降低。所有MSH-CuO配方均成功开发出针对性的多壳结构,最佳配方MSH-CuO (F1)性能最佳。它提供了最高的测量反应焓(750.3 J g-1)和805.18 J g-1的估计能量密度,比掺杂的基准材料高约71%,接近理论极限(810.8 J g-1)。通过连续10次循环氧化还原测试证实了优异的稳定性,而SEM/EDS显示了高多孔的循环后形貌,没有烧结的证据。这些发现表明,与基准CuO材料相比,多壳CuO结构具有高能量密度和快速动力学,可实现高达112%的还原率和高达414%的氧化率。最重要的是,MSH结构具有固有的抗烧结性能,为下一代热化学储能和化学环系统提供了一种有前途的无掺杂途径。
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引用次数: 0
Thermally magnetized Darcy–Forchheimer Eyringen micropolar material subject to chemical kinetics: A machine learning analysis 化学动力学下的热磁化Darcy-Forchheimer Eyringen微极材料:机器学习分析
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-06 DOI: 10.1016/j.ceja.2025.100992
Zahoor Shah , Amjad Ali Pasha , M. Nasir , Mohammed Salem Basingab , Mudasar Zafar , Abdul Zubar Hameed , Muhammad Talha , Attika Jamil , M. Waqas
Artificial intelligence (AI) is revolutionizing fluid mechanics as it provides revolutionary accuracy with complex, turbulent flows that can be modeled, speed up the simulation of fluid dynamics, and gain new findings from nonconventional data analysis for which conventional computational methods are insufficient. This study presents the numerical analysis of magnetohydrodynamic (MHD) Darcy–Forchheimer micropolar fluid flow with viscous dissipation and heterogeneous–homogeneous chemical reactions using innovative AI approaches. This model is solved utilizing an Artificial Intelligence-based Nonlinear Autoregressive Exogenous (NARX) network with the Bayesian Regularization Scheme (BRS). A dataset is created in Mathematica, with the Adams numerical method, while varying values of Ka, Kp, Md, H, Pr, Q, and Rd. In the case of the formulated strengths of the developed AI based this assessment of logics are then implemented in the evaluation of the dataset of MHD-DFFMPF toward providing rationale for those expected solutions. The achieved as well as the impactful values of the performance are presented in the E−11 – E−13 range across the nine scenarios of the MHD-DFFMPF, demonstrating the model’s excellent accuracy, strong convergence behavior, and computational efficiency throughout all tested cases. It was found that the velocity increased with an increase in Ka and decreased with Kp and Md, while the temperature mount with Pr and Q; however, it dropped with Rd. These results confirmed the physical consistency and robustness of the model with nine graphical MSE trends, histogram patterns, time-series data, regression outcomes, and other supporting graphical quantum. Furthermore, the NARX-BRS model, as proposed, was shown to be trustworthy and accurate, in predicting nonlinear thermofluidic behavior of the MHD Darcy–Forchheimer micropolar system.
人工智能(AI)正在彻底改变流体力学,因为它为可以建模的复杂湍流提供了革命性的精度,加速了流体动力学的模拟,并从非常规数据分析中获得了传统计算方法无法获得的新发现。本文采用创新的人工智能方法对具有粘性耗散和非均质化学反应的磁流体动力学(MHD) Darcy-Forchheimer微极流体流动进行了数值分析。该模型采用基于人工智能的非线性自回归外生网络(NARX)和贝叶斯正则化方案(BRS)求解。使用Adams数值方法在Mathematica中创建数据集,同时改变Ka, Kp, Md, H, Pr, Q和Rd的值。在基于这种逻辑评估的开发人工智能的制定优势的情况下,然后在MHD-DFFMPF数据集的评估中实施,以提供这些预期解决方案的基本原理。在MHD-DFFMPF的9个场景中,在E−11 - E−13范围内给出了性能的实现值和影响值,证明了该模型在所有测试用例中具有出色的准确性、强收敛性和计算效率。速度随Ka的增大而增大,随Kp和Md的减小而减小,温度随Pr和Q的增大而升高;这些结果证实了模型的物理一致性和鲁棒性,包括9个图形MSE趋势、直方图模式、时间序列数据、回归结果和其他支持图形量子。此外,所提出的NARX-BRS模型在预测MHD Darcy-Forchheimer微极系统的非线性热流体行为方面是可靠和准确的。
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引用次数: 0
Lumped and distributed activation energy modelling of biomass pyrolysis 生物质热解的集总分布活化能模型
IF 7.1 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-01-05 DOI: 10.1016/j.ceja.2025.100998
Zoé Mercier , Marion Carrier , Frédéric Marias
The Distributed Activation Energy Model (DAEM) is applied to a semi-detailed degradation scheme, demonstrating its effectiveness in describing the complex kinetics of biomass pyrolysis. DAEM is a widely used tool for modeling the complex reaction rates and capturing the heterogeneous nature of lignocellulosic decomposition. First, the review provides the theoretical background to DAEM, highlighting its statistical basis and the assumptions underlying the distribution of activation energies. It then analyzes advances in parameter estimation, numerical methods, and optimization techniques that improve the reliability of DAEM fitting. Comparative studies with the constant activation energy model were considered to clarify the strengths and limitations of DAEM. A significant part of the research paper summarizes how DAEM has been applied to the main constituents of biomass: cellulose, hemicelluloses, and lignins. The model has also been validated using external data that was not used in the fitting procedure. Applications to real biomass have been discussed alongside recent efforts to extend the model to secondary reactions and gas formation. Finally, the study considers ways to extend DAEM towards more mechanistic degradation schemes by incorporating secondary reactions and pathways leading to gas formation and levoglucosan degradation.
将分布式活化能模型(DAEM)应用于半详细的降解方案,证明了其在描述生物质热解复杂动力学方面的有效性。DAEM是一种广泛使用的工具,用于模拟复杂的反应速率和捕获木质纤维素分解的异质性。首先,综述了DAEM的理论背景,重点介绍了DAEM的统计基础和活化能分布的假设。然后分析了参数估计、数值方法和优化技术的进展,提高了DAEM拟合的可靠性。通过与恒定活化能模型的比较研究,阐明了DAEM的优势和局限性。研究论文的重要部分总结了DAEM如何应用于生物质的主要成分:纤维素、半纤维素和木质素。该模型还使用拟合过程中未使用的外部数据进行了验证。在讨论实际生物质应用的同时,还讨论了最近将该模型扩展到二次反应和气体形成的努力。最后,该研究考虑了通过结合二次反应和导致气体形成和左旋葡聚糖降解的途径,将DAEM扩展到更机械的降解方案的方法。
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Chemical Engineering Journal Advances
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