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In-situ construction of CuNiAl-LDH/Ti3C2 MXene heterostructure for the visible-light-driven degradation of tetracycline: Performance, mechanism and eco-toxicity evaluation cunil - ldh /Ti3C2 MXene异质结构的原位构建:可见光降解四环素的性能、机制及生态毒性评价
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-17 DOI: 10.1016/j.jtice.2025.106584
Zifei Gao , Deke Wang , Baoyu Zou , Ye Liu , Xingkang Yu , Qing Li , Juanjuan Ma , Lin Liu , Chao Liu , Zhiwei Tong , Jun Hu

Background

Antibiotics induce bacterial resistance, and their overuse threatens both public health and the environment. Among available technologies, green and efficient photocatalytic degradation has emerged as one of the most promising approaches for antibiotic removal.

Methods

A series of CuNiAl-LDH/Ti3C2 MXene 2D/2D heterostructure composites were fabricated via a hydrothermal method by vertically growing CuNiAl-LDH nanosheet arrays on Ti3C2 flakes. The incorporation of Ti3C2 markedly enhanced the photoelectrochemical performance of the composites by improving charge separation and interfacial transfer efficiency, as confirmed by electrochemical impedance spectroscopy (EIS), transient photocurrent response (TPR), and photoluminescence (PL) analysis.

Significant findings

Among the series, the optimized LT(15) composite achieved 90.3 % degradation efficiency toward tetracycline (TC) within 80 min under visible-light irradiation, which is 2.1 times that of pristine CuNiAl-LDH. The composite also exhibited broad pH tolerance (5–11), excellent structural stability, and recyclability over multiple cycles. Radical scavenging experiments identified photogenerated holes (h⁺) and superoxide radicals (•O₂⁻) as the dominant reactive species. UHPLC-MS and QSAR-based toxicity evaluation demonstrated that TC was progressively mineralized into less toxic or non-toxic intermediates. Wheat seedling assays further confirmed that photocatalytic treatment effectively eliminated ecotoxicity, highlighting the composite’s potential for safe and sustainable antibiotic removal in water remediation.
抗生素引起细菌耐药性,其过度使用威胁着公众健康和环境。在现有的技术中,绿色高效的光催化降解已成为最有前途的抗生素去除方法之一。方法采用水热法在Ti3C2薄片上垂直生长CuNiAl-LDH纳米片阵列,制备CuNiAl-LDH/Ti3C2 MXene 2D/2D异质结构复合材料。电化学阻抗谱(EIS)、瞬态光电流响应(TPR)和光致发光(PL)分析证实,Ti3C2的加入通过改善电荷分离和界面传递效率,显著提高了复合材料的光电性能。其中,优化后的LT(15)复合材料在可见光照射下80 min内对四环素(TC)的降解效率达到90.3%,是原始CuNiAl-LDH的2.1倍。该复合材料还具有广泛的pH耐受性(5-11),优异的结构稳定性和多次循环的可回收性。自由基清除实验发现光生空穴(h⁺)和超氧自由基(O₂⁻)是主要的活性物质。UHPLC-MS和基于qsar的毒性评价表明,TC逐渐矿化为毒性较低或无毒的中间体。小麦幼苗试验进一步证实,光催化处理有效消除了生态毒性,突出了该复合材料在水修复中安全、可持续地去除抗生素的潜力。
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引用次数: 0
Multi-functional composite coatings for magnesium alloys integrating photodynamic, photothermal and anti-corrosion 集光动力、光热、防腐于一体的镁合金多功能复合涂层
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-17 DOI: 10.1016/j.jtice.2025.106586
Ru Bai , Caili Wang , Zehan Li , Yuhang Miao , Haoyang Tao , Li Wang

Background

Magnesium alloys hold great promise for medical applications due to their high biocompatibility and mechanical properties. However, their rapid corrosion in the body and susceptibility to infections pose significant challenges.

Method

To address these issues, we developed a multifunctional MAO/F/ETPR/Gel composite coating on AZ31B magnesium alloy. This coating integrates photothermal agents (FePC) and ErTm@PDA-RB nanoparticles within a micro-arc oxidation (MAO) layer, sealed with a gelatin layer.

Significant Findings

After the MAO/F/ETPR/Gel coating is applied to the magnesium alloy, the corrosion current density decreases by about two orders of magnitude, demonstrating markedly improved corrosion resistance. Compared with bare magnesium alloy, the coating demonstrates improved antibacterial properties with an antibacterial rate of 99.15 % against Escherichia coli under 980 nm light irradiation. Additionally, it exhibits minimal cytotoxicity to HL-7702 human liver cells, confirming its biocompatibility. This innovative coating combines photodynamic and photothermal therapies, activated by a single near-infrared light source, to address the challenges of rapid degradation and postoperative infections. Our study provides a novel solution for enhancing the performance of magnesium alloy implants in biomedical applications.
镁合金具有良好的生物相容性和力学性能,在医疗领域具有广阔的应用前景。然而,它们在体内的快速腐蚀和对感染的易感性构成了重大挑战。方法针对这些问题,在AZ31B镁合金表面制备了MAO/F/ETPR/Gel复合涂层。这种涂层将光热剂(FePC)和ErTm@PDA-RB纳米颗粒集成在微弧氧化(MAO)层中,并用明胶层密封。结果表明:在镁合金表面涂覆MAO/F/ETPR/Gel涂层后,镁合金的腐蚀电流密度降低了约2个数量级,耐蚀性明显提高。与裸镁合金相比,该涂层在980 nm光照射下对大肠杆菌的抑菌率达到99.15%。此外,它对HL-7702人肝细胞表现出最小的细胞毒性,证实了其生物相容性。这种创新的涂层结合了光动力和光热疗法,由一个近红外光源激活,以解决快速降解和术后感染的挑战。我们的研究为提高镁合金植入物在生物医学应用中的性能提供了一种新的解决方案。
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引用次数: 0
Engineering densely accessible FeNₓ sites in straw-derived hierarchical porous carbon for enhanced ORR catalysis and environmental remediation 在秸秆衍生的分层多孔碳中设计密集可达的FeNₓ位点,用于增强ORR催化和环境修复
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-17 DOI: 10.1016/j.jtice.2025.106576
Xu YANG , Qiao PENG , Huijie GAO , Baiqiang LIU , Yiyu CHEN , Bolong JIANG , Hua SONG

Background

Efficient non-precious oxygen reduction reaction (ORR) catalysts like Fe-N-C are essential for microbial fuel cells (MFCs). However, they often suffer from limited active site accessibility and suboptimal structure. Biomass-derived carbon combined with rational heteroatom doping offers a promising solution.

Methods

A Fe-N co-doped micro/mesoporous carbon catalyst (FeNCN-H) was synthesized via a one-pot polycondensation-pyrolysis strategy using ammonium ferric citrate as multifunctional Fe/N/structural precursor.

Significant Findings

The incorporation of ammonium ferric citrate proved instrumental in generating a high-surface-area hierarchical pore structure alongside the biochar component, while also facilitating the formation of FeNₓ sites, Pyridinic N, and Graphitic N. This optimization of pore structure, active sites, and conductivity endowed FeNCN-H with superior ORR performance. The catalyst achieved a limiting current density of –6.37 mA cm⁻² and a peak power density of 814.1 mW cm⁻², outperforming control samples and approaching commercial Pt/C. Moreover, the catalyst demonstrated excellent environmental applicability, achieving removal efficiencies of 95.1% for COD, 94.1% for phenol, and 98.3% for methylene blue in wastewater treatment.
Fe-N-C等高效非贵重氧还原反应(ORR)催化剂是微生物燃料电池(mfc)必不可少的催化剂。然而,它们经常受到有限的活性站点可达性和次优结构的影响。生物质衍生碳与合理杂原子掺杂相结合是一种很有前途的解决方案。方法以柠檬酸铁铵为多功能Fe/N/结构前驱体,采用一锅缩聚热解法合成Fe-N共掺杂微介孔碳催化剂(FeNCN-H)。重要发现柠檬酸铁铵的掺入有助于与生物炭组分一起产生高表面积的分层孔结构,同时也促进了FeNₓ位点、吡啶N和石墨N的形成。这种孔结构、活性位点和电导率的优化使FeNCN-H具有优越的ORR性能。催化剂的极限电流密度为-6.37 mA cm - 2,峰值功率密度为814.1 mW cm - 2,优于对照样品,接近商业Pt/C。此外,该催化剂表现出良好的环境适用性,在废水处理中对COD的去除率为95.1%,对苯酚的去除率为94.1%,对亚甲基蓝的去除率为98.3%。
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引用次数: 0
Efficient Ge(IV) CAPTURE by hydroxyl-functionalized Zr-MOF via inner-sphere complexation 球内络合羟基功能化Zr-MOF高效捕获Ge(IV)
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-17 DOI: 10.1016/j.jtice.2025.106587
Xinni Tang , Manying Zhu , Yihui Wu , Jiaxin Luo , Xinrui Yang , Shixing Wang , Libo Zhang

Background

Germanium (Ge) is a rare strategic element, with its content in industrial wastewater far exceeding the Earth's crustal average, necessitating efficient recovery.

Methods

This study synthesized a zirconium-based metal-organic framework (UiO-66–2OH) with hydroxyl groups via solvothermal method using 2,5-dihydroxyterephthalic acid as a linker. Characterization by SEM, EDS, XRD, FT-IR, BET, and XPS confirmed high crystallinity and abundant oxygen-containing groups. Batch adsorption experiments assessed performance.

Significant Findings

UiO-66–2OH showed excellent adsorption capacity and selectivity under alkaline conditions, due to its porous structure, high surface area, and rich hydroxyl/carboxyl sites. Spectroscopic analysis and DFT calculations indicated a strong coordination between Ge(IV) and hydroxyl groups on 2,5-dihydroxyterephthalic acid, enabling efficient Ge capture. At pH 10, it achieved a 253.87 mg/g capacity at room temperature. Kinetics followed a pseudo-n-order model, and isotherms fit the Langmuir model, suggesting chemisorption-driven monolayer adsorption. Robust Zr-O clusters ensured stability across multiple cycles. These findings position UiO-66–2OH as a promising adsorbent for sustainable Ge recovery from complex solutions.
锗(Ge)是一种稀有的战略元素,其在工业废水中的含量远远超过地球地壳的平均含量,需要有效的回收。方法以2,5-二羟基对苯二甲酸为连接剂,采用溶剂热法合成了含羟基的锆基金属有机骨架(UiO-66-2OH)。通过SEM、EDS、XRD、FT-IR、BET、XPS等表征,证实其结晶度高,含氧基团丰富。批量吸附实验评估性能。suio -66 - 2oh由于其多孔结构、高比表面积和丰富的羟基/羧基位点,在碱性条件下表现出优异的吸附能力和选择性。光谱分析和DFT计算表明,2,5-二羟基对苯二甲酸上的Ge(IV)和羟基之间有很强的配位,能够有效地捕获Ge。在pH值为10时,其室温容量为253.87 mg/g。动力学遵循伪n阶模型,等温线符合Langmuir模型,表明化学吸附驱动的单层吸附。稳健的Zr-O簇确保了跨多个周期的稳定性。这些发现表明UiO-66-2OH是一种很有前途的吸附剂,可以从复杂溶液中持续回收锗。
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引用次数: 0
Realistic weather-based enhancement of PV cells using nanoparticle-enhanced paraffin, metal foam, and sinusoidal fins 使用纳米颗粒增强石蜡、金属泡沫和正弦鳍对光伏电池进行现实的基于天气的增强
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-15 DOI: 10.1016/j.jtice.2025.106578
M. Sheikholeslami , Q.M.A. Mustafa
<div><h3>Background</h3><div>This work presents a detailed numerical investigation of a photovoltaic–thermal (PVT) unit enhanced with a passive cooling strategy that incorporates phase-change materials (PCMs). The system uses paraffin RT-35HC as its primary PCM to moderate temperature fluctuations in the PV panel.</div></div><div><h3>Methods</h3><div>To substantially boost both thermal and electrical efficiencies, three complementary strategies were implemented: dispersing Al₂O₃ nanoparticles into PCM to create a nano-enhanced PCM (NEPCM), incorporating sinusoidal metallic fins, and embedding copper foam to enhance heat conduction. Four distinct system configurations were analyzed: (1) a baseline model with plain PCM, (2) PCM integrated with rectangular fins, (3) PCM with sinusoidal fins, and (4) an advanced hybrid design combining NEPCM, sinusoidal fins, and porous foam. To ensure accuracy, the numerical model was validated using two separate experimental benchmarks—one assessing melting behavior in finned enclosures, and the other evaluating a PV panel's thermal response under actual solar exposure. Simulations were conducted under realistic environmental conditions using weather and solar data from Delhi. Unsteady, two-dimensional numerical simulations were carried out in ANSYS FLUENT, incorporating variations in solar radiation over time. Periodic boundary conditions were applied to the sidewalls to replicate continuous PV panel arrays.</div></div><div><h3>Significant findings</h3><div>The findings strongly confirm the effectiveness of the integrated cooling methods. At 13:00, the integrated cooling configuration resulted in a 3.11% decrement in the module temperature, resulting in a notable boost in electrical output. Additionally, the liquid fraction (LF) rose significantly—by nearly 114.56%—due to enhanced thermal response in the improved system. The integration of NEPCM, porous foam, and sinusoidal fins enabled both rapid and delayed cooling effects, effectively lowering peak temperatures and ensuring stable system operation throughout the day. Electrical efficiency (η<sub>el</sub>) improvements of 2.62%, 5.02%, and 3.35% were recorded at 10:00, 13:00, and 16:00, respectively. The top-performing configuration at 13:00 achieved a 15.43% increase in η<sub>el</sub> relative to a panel operating without any cooling. The setup also demonstrated superior thermal inertia, maintaining higher thermal efficiency during the late-day cooling period, with a 53.6% improvement at 13:00. Overall system efficiency peaked at 98.36% in the enhanced case versus 66.47% in the base case—an increase of around 47.1%. In terms of environmental impact, the best system achieved a 9.71% improvement in CO₂ emission reduction over the uncooled panel, with total mitigation reaching 447.28 tons. Based on the economic assessment, the system yields a total profit of approximately $3,315.78 after 20 years of operation. These outcomes highlight the potential of integrating
本研究对采用相变材料(PCMs)的被动冷却策略增强的光伏-热(PVT)单元进行了详细的数值研究。该系统使用石蜡RT-35HC作为其主要PCM,以调节PV面板的温度波动。方法为了大幅提高热效率和电效率,采用了三种互补策略:将Al₂O₃纳米颗粒分散到PCM中形成纳米增强型PCM (NEPCM),加入正弦金属翅片,以及嵌入泡沫铜以增强热传导。分析了四种不同的系统配置:(1)平面PCM的基线模型,(2)集成矩形鳍片的PCM,(3)集成正弦鳍片的PCM,以及(4)结合NEPCM、正弦鳍和多孔泡沫的先进混合设计。为了确保准确性,数值模型使用两个独立的实验基准进行验证-一个评估翅片外壳的熔化行为,另一个评估光伏电池板在实际太阳照射下的热响应。利用来自德里的天气和太阳数据,在真实的环境条件下进行了模拟。在ANSYS FLUENT中进行了非定常二维数值模拟,考虑了太阳辐射随时间的变化。将周期性边界条件应用于侧壁以复制连续PV面板阵列。重大发现这些发现有力地证实了综合冷却方法的有效性。在13:00时,集成冷却配置导致模块温度下降3.11%,导致电力输出显着提高。此外,由于改进后系统的热响应增强,液体分数(LF)显著提高了近114.56%。NEPCM、多孔泡沫和正弦翅片的集成实现了快速和延迟冷却效果,有效降低峰值温度,确保系统全天稳定运行。在10:00、13:00和16:00时,电效率分别提高了2.62%、5.02%和3.35%。与没有任何冷却的面板相比,在13:00时表现最佳的配置使η - el增加了15.43%。该装置还表现出优异的热惯性,在晚些时候的冷却期间保持较高的热效率,在13:00时提高了53.6%。在增强的情况下,整个系统效率达到了98.36%的峰值,而在基本情况下为66.47%,大约增加了47.1%。在环境影响方面,与非制冷面板相比,最佳系统的CO₂减排量提高了9.71%,总减排量达到447.28吨。根据经济评估,该系统运行20年后的总利润约为3,315.78美元。这些结果突出了在现实条件下将NEPCM、金属泡沫和正弦鳍片集成到PVT系统中的潜力,为实现更高效和可持续的太阳能技术提供了可行的途径。
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引用次数: 0
Biochar-driven ternary hybrid of MoS2 and NiCo2O4 for high-sensitivity, non-invasive glucose sensing via salivary electroanalysis 生物炭驱动的MoS2和NiCo2O4三元杂化物用于唾液电分析的高灵敏度、无创葡萄糖传感
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-15 DOI: 10.1016/j.jtice.2025.106585
Jingwen Yin , Yue Wang , Tingting Ma

Background

Diabetes mellitus is a chronic metabolic disorder characterized by sustained hyperglycemia, currently affecting over 537 million individuals worldwide. As global prevalence continues to rise, the demand for accurate, real-time, and non-invasive glucose monitoring tools has become increasingly urgent.

Methods

A highly sensitive and non-invasive electrochemical glucose sensor was developed using a ternary hybrid composite of Shrimp Shell-Derived Carbon (SBC), MoS₂, and NiCo₂O₄ modified on a glassy carbon electrode (GCE). The composite integrates the high conductivity of SBC, the catalytic edge sites of MoS₂, and the redox activity of spinel NiCo₂O₄, enabling a synergistic interface for efficient glucose oxidation in alkaline media.

Significant Findings

The sensor exhibited a wide linear detection range across two intervals: from 0.3 μM to 0.212 mM and from 0.212 to 6.212 mM, with a low detection limit of 157 nM and a remarkably high sensitivity of 932.2 μA·mM⁻¹·cm⁻² in the lower concentration range. Excellent selectivity toward glucose over common interfering species, stable repeatability, and >91 % signal retention over 10 days were also achieved. Notably, real-time salivary glucose monitoring demonstrated a strong correlation with commercial glucometers, capturing postprandial dynamics and validating its non-invasive diagnostic potential. This work provides a robust strategy for constructing next-generation wearable glucose sensors via rational nanomaterial integration.
糖尿病是一种以持续高血糖为特征的慢性代谢紊乱,目前全球有超过5.37亿人受到影响。随着全球糖尿病患病率的持续上升,对准确、实时、无创血糖监测工具的需求变得越来越迫切。方法采用虾壳衍生碳(SBC)、MoS₂和NiCo₂O₄在玻碳电极(GCE)上修饰的三元杂化复合材料,制备了一种高灵敏度、无创的电化学葡萄糖传感器。该复合材料结合了SBC的高导电性、MoS 2的催化边缘位点和尖晶石NiCo₂O₄的氧化还原活性,在碱性介质中实现了高效葡萄糖氧化的协同界面。该传感器在0.3 μM ~ 0.212 mM和0.212 ~ 6.212 mM范围内具有较宽的线性检测范围,低检测限为157 nM,低浓度范围的灵敏度为932.2 μA·mM⁻¹·cm⁻²。对葡萄糖的选择性优于常见干扰物质,重复性稳定,10天内信号保留率达91%。值得注意的是,实时唾液葡萄糖监测显示与商用血糖仪有很强的相关性,捕捉餐后动态并验证其非侵入性诊断潜力。这项工作为通过合理的纳米材料集成构建下一代可穿戴葡萄糖传感器提供了一个强大的策略。
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引用次数: 0
A bivariate Gompertz model quantifies the growth kinetics of Navicula lanceolata 一个二元Gompertz模型量化了杉木Navicula lanceolata的生长动力学
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-13 DOI: 10.1016/j.jtice.2025.106562
Chih-Yu Yang , Tzu-Hsuan Yang , Su-Yuan Lai , Chen-Hao Lin , Hou-Chien Chang , Min-Ying Wang

Background

Diatoms are microalgae with both ecological and economic value, holding great potential for the production of high-value biomolecules. To improve cultivation efficiency, investigating growth kinetics under different nutrient concentrations is of practical importance.

Methods

In this study, Navicula lanceolata was cultivated in 500 mL batch mode under four different medium concentrations (0.5f, 2.5f, 5f, and 10f). Growth curves were fitted using the Logistic and Gompertz models for comparison. Subsequently, a bivariate Gompertz model incorporating both time and medium concentration was developed.

Significant findings

The Gompertz model exhibited strong fitting performance under all tested conditions (Radj2 > 0.96). The novel bivariate model also demonstrated high predictive accuracy (Radj2 = 0.97), effectively capturing changes in cell density across varying conditions. The results revealed a trade-off between biomass yield and cultivation time, providing theoretical support and economic guidance for large-scale diatom cultivation.
硅藻是一种具有生态价值和经济价值的微藻,具有生产高价值生物分子的巨大潜力。为了提高栽培效率,研究不同营养浓度下的生长动力学具有重要的现实意义。方法以杉木Navicula lanceolata为研究对象,在4种培养基浓度(0.5f、2.5f、5f、10f)下进行500 mL批量培养。生长曲线拟合使用Logistic和Gompertz模型进行比较。随后,建立了包含时间和介质浓度的双变量Gompertz模型。显著发现:Gompertz模型在所有测试条件下均表现出较强的拟合性能(Radj2 > 0.96)。新的二元模型也显示出很高的预测精度(Radj2 = 0.97),有效地捕捉了不同条件下细胞密度的变化。研究结果揭示了生物量产量与栽培时间之间的权衡关系,为大规模硅藻栽培提供了理论支持和经济指导。
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引用次数: 0
Preparation of photocatalytic mixed matrix membranes via coagulation bath modulation for removal of small-molecule organic pollutants 混凝浴调制制备光催化混合基质膜去除小分子有机污染物
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-13 DOI: 10.1016/j.jtice.2025.106580
Xiuchan Xiao , Qiuyu Jin , Xiangyuan Zhao , Yongfeng Chen , Huamei He , Qiangbin Yang , Guangyong Zeng

Background

Water pollution has become a significant challenge in contemporary society, posing serious threats to public health and environmental safety. Industrial waste, which contains various small-molecule organic pollutants such as antibiotics and synthetic dyes, is the primary contributor to this issue. Integrating photocatalysis with membrane separation enables photocatalytic membranes to concurrently remove micropollutants through separation and catalytic degradation. However, the dispersion and compatibility of the photocatalyst within the membrane matrix, as well as the structural variability between the photocatalyst and the co-catalyst, may compromise the overall stability and durability of the composite membranes.

Methods

To overcome these challenges, this study introduced a novel approach for the preparation of photocatalytic mixed matrix membranes through a coagulation bath modulation strategy. The chemical compatibility between the nanomaterials and the membrane substrate was effectively modulated, and the interfacial interaction was enhanced by incorporating MXene (Ti3C2Tx) nanosheets into the polyvinylidene fluoride (PVDF) casting solution, as well as by introducing polyacrylic acid (PAA) and the photocatalyst graphitic carbon nitride (g-C3N4) into the coagulation bath.

Significant Findings

The experimental results indicated that the optimal concentration of g-C3N4 was 0.5 g/L, achieving photocatalytic degradation efficiencies of 90.9% for rhodamine B (Rh B) and 86.9% for tetracycline hydrochloride (TCH), with a corresponding membrane permeability of 44.71 L·m−2·h−1·bar−1. This study substantially enhanced the membrane's capacity to remove small soluble molecules from water, offering a valuable reference for the stable and efficient removal of small molecular organic pollutants.
地下水污染已成为当代社会面临的重大挑战,对公众健康和环境安全构成严重威胁。工业废物中含有各种小分子有机污染物,如抗生素和合成染料,是造成这一问题的主要原因。将光催化与膜分离相结合,使光催化膜通过分离和催化降解同时去除微污染物。然而,光催化剂在膜基质中的分散和相容性,以及光催化剂和助催化剂之间的结构可变性,可能会损害复合膜的整体稳定性和耐久性。方法为了克服这些挑战,本研究提出了一种通过混凝浴调制策略制备光催化混合基质膜的新方法。将MXene (Ti3C2Tx)纳米片掺入聚偏氟乙烯(PVDF)浇铸液中,以及将聚丙烯酸(PAA)和光催化剂石墨氮化碳(g-C3N4)掺入混凝液中,可以有效调节纳米材料与膜基体之间的化学相容性,增强界面相互作用。实验结果表明,g- c3n4的最佳浓度为0.5 g/L,对罗丹明B (Rh B)的光催化降解效率为90.9%,对盐酸四环素(TCH)的光催化降解效率为86.9%,相应的膜透性为44.71 L·m−2·h−1·bar−1。本研究大大提高了膜对水中可溶性小分子的去除能力,为稳定高效地去除小分子有机污染物提供了有价值的参考。
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引用次数: 0
Synergistic adsorption and degradation of flumetsulam residue by agricultural waste-derived biochar: Performance and mechanism 农业废弃物生物炭协同吸附和降解氟metsulam残留物:性能和机理
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-13 DOI: 10.1016/j.jtice.2025.106581
Jianji Zhao , Xiangyu Zhang , Xiaoqiang Wang , Deyi Ou , Kecheng Huang , Chenglan Liu

Background

Engineered waste-derived biochar can simultaneously remediate polluted aquatic and soil environments, but a comprehensive and mechanistic assessment of efficacy is required, particularly concerning emerging herbicide residues in complex agricultural environments.

Methods

We engineered four types of biochar derived from different waste, including tobacco straw (TBC), rice husk (RBC), cattle feces (FBC), and cattle bone (BBC), and evaluated their potential as a multifunctional strategy for regulating herbicide flumetsulam (FLM) adsorption, degradation, and microbial interaction mechanisms.

Significant findings

The adsorption capacity of these biochars for FLM followed the order: RBC > BBC > TBC > FBC. Among them, RBC demonstrated a high specific surface area (611.24 m²/g) and the largest sorption quantity (39.39 mg/g). This remarkable performance benefited from the surface adsorption and hydrophobic distribution, primarily controlled by the pore filling, hydrogen bonding, π-π stacking, and hydrophobic interaction. Notably, both RBC and FBC accelerated the degradation of FLM in soil, with degradation rate constants increasing by 138.6-213.1% and 22.2-58.5%, respectively. 16S rRNA sequencing revealed feedstock-specific microbiome remodeling, enriching keystone taxa linked to FLM degradation, including Ellin6067 (RBC) and Lysobacter (FBC). Moreover, two degradation products of FLM were identified by a Q Exactive combined quadrupole-Orbitrap mass spectrometer (Q-TOF), and toxicity tests showed that the toxicity of the degradation intermediates was reduced. Overall, this work provides new insights for using agricultural waste to produce low-cost remediation materials with high adsorption capacity and enhanced biodegradation efficiency, positioning them as highly effective in reducing the risk of herbicide residues in agricultural environments.
工程废物衍生的生物炭可以同时修复被污染的水生和土壤环境,但需要对其功效进行全面和机械的评估,特别是在复杂的农业环境中出现的除草剂残留。方法利用烟草秸秆(TBC)、稻壳(RBC)、牛粪(FBC)和牛骨(BBC)等4种不同的废弃物制备生物炭,评价其作为调节除草剂氟美舒兰(FLM)吸附、降解和微生物相互作用机制的多功能策略的潜力。这些生物炭对FLM的吸附量顺序为:RBC >; BBC > TBC >; FBC。其中,RBC比表面积最高(611.24 m²/g),吸附量最大(39.39 mg/g)。这种优异的性能得益于表面吸附和疏水分布,主要由孔隙填充、氢键、π-π堆积和疏水相互作用控制。RBC和FBC均加速了土壤中FLM的降解,降解速率常数分别提高了138.6 ~ 213.1%和22.2 ~ 58.5%。16S rRNA测序揭示了原料特异性微生物群的重塑,丰富了与FLM降解相关的关键分类群,包括Ellin6067 (RBC)和Lysobacter (FBC)。利用Q- Exactive联合四极轨道阱质谱仪(Q- tof)鉴定了两种降解产物,毒性试验表明降解中间体的毒性降低。综上所述,本研究为利用农业废弃物生产低成本、高吸附能力、高生物降解效率的修复材料提供了新的见解,使其在降低农业环境中除草剂残留风险方面非常有效。
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引用次数: 0
Theory and construction of machine learning-driven CFD agent model: a bayesian-optimized CNN-LSTM framework 机器学习驱动的CFD agent模型理论与构建:一个贝叶斯优化的CNN-LSTM框架
IF 6.3 3区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2025-12-12 DOI: 10.1016/j.jtice.2025.106577
Chunmao Pan , Lingxing Hu , Facheng Qiu , Zhiliang Cheng , Zhongjun Li , Lanfeng Guo

Background

The time cost of simulating the gas-liquid complex computational fluid dynamics (CFD) in a jet impact-negative pressure reactor (JI-NPR) to a stable state is relatively significant. To address these issues, this study proposes a CFD coupled with machine learning (ML) approach for accelerated prediction.

Methods

A multi-scale dataset was firstly generated via CFD simulations. Then, the outlet volume fraction data were preprocessed using a simple averaging method for condensation and validated for reliability. Finally, a Bayesian-optimized CNN-LSTM model was employed for spatiotemporal forecast, utilizing rolling prediction for multi-step forecasting.

Significant Findings

The Bayesian-optimized CNN-LSTM model achieved high prediction accuracy, with an RMSE as low as 0.0078 for the velocity field. The computational precision of this optimization framework has improved by an order of magnitude compared to traditional CFD. This framework effectively combines significant-fidelity simulation with rapid iteration, as well as can offer a generalized paradigm for CFD-ML integration in complex chemical processes.
射流冲击负压反应器(JI-NPR)气液复杂计算流体动力学(CFD)模拟到稳定状态的时间成本相对较大。为了解决这些问题,本研究提出了一种CFD与机器学习(ML)相结合的方法来加速预测。方法首先通过CFD模拟生成多尺度数据集。然后,使用简单的冷凝平均方法对出口体积分数数据进行预处理,并验证其可靠性。最后,采用贝叶斯优化的CNN-LSTM模型进行时空预测,利用滚动预测进行多步预测。经贝叶斯优化的CNN-LSTM模型预测精度较高,速度场的RMSE低至0.0078。该优化框架的计算精度比传统CFD提高了一个数量级。该框架有效地将显著保真度模拟与快速迭代相结合,为复杂化学过程中的CFD-ML集成提供了一种通用范式。
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引用次数: 0
期刊
Journal of the Taiwan Institute of Chemical Engineers
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