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Design of ultraviolet-resistant and foliar-adhesive herbicide nanoformulation based on urchin-like PRP@UH-COFs@PDA nanohybrid for enhanced herbicidal efficacy 基于类海胆PRP@UH-COFs@PDA纳米杂化物的抗紫外叶粘除草剂纳米配方设计
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.174015
Dongdong Li, Jianan Li, Bingze Li, Meng Gao, Chujian Ma, Yajun Peng, Xirui Liu, Dingfeng Luo, Lianyang Bai, Zuren Li
The limited foliar adhesion and rapid ultraviolet (UV)-induced photodegradation of conventional herbicide formulations significantly reduce their utilization efficiency in agricultural applications. Herein, we report the rational design and fabrication of a multifunctional herbicide nanoformulation (PRP@UH-COFs@PDA) via loading propanil (PRP) into urchin-like hollow covalent organic frameworks (UH-COFs) and subsequent polydopamine (PDA) encapsulation. Comprehensive experimental characterizations combined with theoretical simulations confirm the successful synthesis of the nanohybrid and reveal the adsorption interactions of PRP and PDA with UH-COFs. The resulting PRP@UH-COFs@PDA exhibits a high pesticide loading capacity (29.4%) and markedly enhanced photostability under UV irradiation. Moreover, the synergistic effect of the urchin-like nanostructure and PDA coating significantly improves surface wettability, foliar adhesion, and rainfastness on hydrophobic leaf surfaces. Benefiting from the excellent UV resistance and foliar adhesion properties of the PRP@UH-COFs@PDA nanohybrids, the as-prepared herbicide nanoformulation demonstrates superior herbicidal efficacy against barnyard grass compared with PRP technical (PRP TC) and PRP emulsifiable concentrates. Importantly, PDA-coated UH-COFs nano-carriers (UH-COFs@PDA) mitigate PRP TC leaching into soil and display good biosafety toward rice, zebrafish, and earthworms. Overall, this study presents UV-resistant and foliar-adhesive nano-carriers platform that substantially enhances the utilization efficiency of herbicides, offering a promising strategy for the development of next-generation high-performance pesticide formulations.
传统除草剂制剂的叶面粘附能力有限,且在紫外线诱导下极易光降解,严重降低了其在农业上的利用效率。在此,我们报告了通过将丙烯(PRP)装载到海胆样中空共价有机框架(UH-COFs)中并随后封装聚多巴胺(PDA)来合理设计和制造多功能除草剂纳米配方(PRP@UH-COFs@PDA)。综合实验表征和理论模拟证实了纳米杂化物的成功合成,并揭示了PRP和PDA与UH-COFs的吸附相互作用。所得PRP@UH-COFs@PDA具有较高的农药负载能力(29.4%),并且在紫外线照射下具有明显的光稳定性。此外,类海胆纳米结构与PDA涂层的协同作用显著提高了疏水叶片表面的润湿性、叶片附着力和耐雨性。得益于PRP@UH-COFs@PDA纳米杂种优异的抗紫外线和叶面粘附性能,与PRP技术(PRP TC)和PRP乳化浓缩液相比,制备的纳米除草剂对稗草的除草效果更佳。重要的是,pda包覆的UH-COFs纳米载体(UH-COFs@PDA)减轻了PRP TC浸出到土壤中,并对水稻、斑马鱼和蚯蚓显示出良好的生物安全性。总的来说,本研究提出了抗紫外线和叶面粘附的纳米载体平台,大大提高了除草剂的利用效率,为开发下一代高性能农药配方提供了一个有希望的策略。
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引用次数: 0
Exposed and encapsulated NiMo alloy nanoparticles in a N-doped carbon nanotube array for synergistic catalysis toward efficient industrial water splitting 在n掺杂碳纳米管阵列中暴露和封装的镍合金纳米颗粒协同催化高效工业水裂解
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.173955
Bo Geng, Rui Chen, Qingyang Song, Gaojie Li
The development of highly active and durable electrocatalysts is critical for efficient hydrogen production in alkaline water electrolysis, yet the rational modulation of catalyst-reactant interactions with key intermediates (H2O*, H*, and OH*) continues to pose significant challenges. In this work, we design an electrocatalytic comprising nitrogen-doped carbon nanotubes (NCNTs)-encapsulated NiMo nanoparticles anchored on carbon cloth (NiMo@NCNT/CC), which synergistically enhances water molecule dissociation kinetics while optimizing the adsorption/desorption energetics of reactive intermediates in alkaline media. The NiMo@NCNT/CC exhibits outstanding water-splitting performance, achieving 10 mA cm−2 at a low cell voltage of 1.53 V, which can be attributed to the cooperative effect of both exposed and encapsulated NiMo nanoparticles. More importantly, under industrially alkaline conditions (6 M KOH, 80 °C), the catalyst maintains excellent catalytic activity, merely requiring 1.47 V to get 10 mA cm−2. Furthermore, it demonstrates exceptional long-term stability, sustaining stable operation at 500 mA cm−2 for more than 700 h without significant performance degradation, highlighting its potential for practical industrial applications. This study not only presents a strategic methodology for the rational design of bimetallic alloy catalysts, but also advances the development of durable electrocatalysts for industrial-scale water hydrogen production.
高效、耐用的电催化剂的开发是碱电解高效制氢的关键,但催化剂-反应物与关键中间体(H2O*、H*和OH*)相互作用的合理调节仍然是一个重大挑战。在这项工作中,我们设计了一种由氮掺杂碳纳米管(NCNTs)包裹的NiMo纳米颗粒锚定在碳布(NiMo@NCNT/CC)上的电催化剂,它协同增强了水分子的解离动力学,同时优化了活性中间体在碱性介质中的吸附/解吸能量。NiMo@NCNT/CC表现出优异的水分解性能,在1.53 V的低电池电压下达到10 mA cm−2,这可归因于暴露和封装的NiMo纳米颗粒的协同作用。更重要的是,在工业碱性条件下(6 M KOH, 80 °C),催化剂保持优异的催化活性,只需1.47 V就能得到10 mA cm−2。此外,它表现出优异的长期稳定性,在500 mA cm−2下保持稳定运行超过700 h而没有明显的性能下降,突出了其实际工业应用的潜力。该研究不仅为双金属合金催化剂的合理设计提供了一种战略方法,而且对工业规模水制氢的耐用电催化剂的开发也有一定的推动作用。
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引用次数: 0
Chemical looping oxidation mechanism of methanol in supercritical water 甲醇在超临界水中的化学环氧化机理
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.174027
Chenxi Gu, Jindi Du, Kangsen Chen, Changwei Guo, Taizhen Liu, Zhiwei Ge, Liejin Guo
Chemical looping oxidation (CLO) technology demonstrates exceptional carbon capture capabilities in energy conversion and utilization, and the supercritical water (SCW) medium has attracted considerable attention owing to its ability to markedly enhance reaction kinetics. At present, detailed experimental investigations and mechanistic understanding of fuel behavior in the supercritical water chemical looping oxidation (SCW-CLO) process remain insufficient. By combining SCW with CLO technology and employing methanol as a model fuel, comprehensive thermodynamic analyses and intermittent high-pressure reaction experiments were conducted to elucidate the reaction mechanisms and the influence of key operating parameters. The results indicate that complete oxidation of methanol dominates the reaction pathway in the SCW-methanol-CuO system. Elevated temperatures enhance oxidation efficiency, though excessively high temperatures diminish oxygen carrier activity. Reaction time exhibits distinct phased regulation of the reaction, while oxidant equivalence (ER) directly governs the transformation of reaction pathways. Experimentally, optimal performance was achieved at 650 °C, ER = 1.5, and 20 min, yielding an H2 conversion above 90% and CO2 selectivity exceeding 95%. Multi-scale characterization further confirmed the structural and performance stability of the oxygen carrier before and after reaction. Finally, a mechanistic framework for SCW-CLO of methanol was proposed based on the experimental analysis.
化学环氧化(CLO)技术在能量转换和利用方面表现出卓越的碳捕获能力,超临界水(SCW)介质因其显著提高反应动力学的能力而引起了相当大的关注。目前,对超临界水化学环氧化(SCW-CLO)过程中燃料行为的详细实验研究和机理认识还不够。将SCW与CLO技术相结合,以甲醇为模型燃料,进行了综合热力学分析和间歇高压反应实验,阐明了反应机理和关键操作参数的影响。结果表明,scw -甲醇- cuo体系的反应途径以甲醇完全氧化为主。升高的温度可提高氧化效率,但过高的温度会降低氧载体的活性。反应时间对反应有明显的阶段性调控,而氧化剂等效性(ER)直接支配着反应途径的转变。实验结果表明,在650 °C, ER = 1.5,20 min条件下,H2转化率达到90%以上,CO2选择性超过95%。多尺度表征进一步证实了反应前后氧载体的结构和性能稳定性。最后,在实验分析的基础上,提出了甲醇SCW-CLO的机理框架。
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引用次数: 0
Hierarchical porous amorphous silica additive for long-life aqueous zinc-ion batteries 长寿命水性锌离子电池用分层多孔无定形二氧化硅添加剂
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.174030
Shanshan Chen, Guorong Liu, Long Chen, Xun Lv, Jiayi Li, Heng Zhang, Xiong Li, Qing Wang, Jian Wang, Haojun Zhang, Shengchao Yang
Aqueous zinc-ion batteries (AZIBs) have emerged as one of the most promising safe energy storage solutions. However, their practical application has been severely hindered via uncontrollable side reactions and dendrite proliferation. To mitigate these issues, this study designs an electrolyte additive, porous silica particles (PSPs) with high specific surface area and abundant surface hydroxyl groups. The binding energy of Zn with PSPs is −5.87 eV, significantly stronger than that with H2O (−0.24 eV), enabling PSPs to spontaneously form an interfacial layer on the zinc anode. This layer interacts with water molecules via hydrogen bonding, markedly elevating the overpotential for water decomposition and effectively suppressing hydrogen evolution reactions and side reactions. The hydrodynamic size of PSPs increases substantially from 458.7 nm in H2O to 4800.7 nm in 2 M ZnSO4 electrolyte, which provides efficient zinc-ion transport pathways, homogenizes the interfacial zinc-ion distribution, and promotes uniform zinc nucleation and deposition. PSPs exhibits an ultra-long cycle life of 4542 h at 0.5 mA cm−2 and 0.5 mAh cm−2 in Zn//Zn symmetric cells. Zn//Cu asymmetric cells employing PSPs electrolyte additive achieves an exceptional average Coulombic efficiency (CE) of 99.1% over 3200 cycles at 10 mA cm−2 and 1 mAh cm−2. This inorganic electrolyte additive regulation strategy provides a remarkable approach for developing long-life, high-safety AZIBs.
水性锌离子电池(azib)已成为最有前途的安全储能解决方案之一。然而,由于不可控的副反应和枝晶增殖,它们的实际应用受到严重阻碍。为了缓解这些问题,本研究设计了一种电解质添加剂,具有高比表面积和丰富表面羟基的多孔二氧化硅颗粒(psp)。锌与PSPs的结合能为−5.87 eV,显著强于与H2O的结合能(−0.24 eV),使得PSPs能够在锌阳极上自发形成界面层。该层通过氢键与水分子相互作用,显著提高了水分解的过电位,有效抑制了析氢反应和副反应。在2 M ZnSO4电解质中,PSPs的水动力尺寸从水中的458.7 nm大幅增加到4800.7 nm,提供了高效的锌离子传输途径,使界面锌离子分布均匀,促进了锌的均匀成核和沉积。在Zn//Zn对称电池中,psp在0.5 mA cm−2和0.5 mAh cm−2下的超长循环寿命为4542 h。采用PSPs电解质添加剂的锌/铜不对称电池在10 mA cm−2和1 mAh cm−2下,在3200次 循环中获得了99.1%的平均库仑效率(CE)。这种无机电解质添加剂调节策略为开发长寿命,高安全性的azib提供了显着的方法。
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引用次数: 0
Constructing a 3D multifunctional interfacial space confinement layer for stable and dendrite-free zinc-metal batteries 构建稳定无枝晶锌金属电池三维多功能界面空间约束层
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.174036
Xinwei Wang, Xiaomin Hu, Fapeng Gao, Yu Zhang, Jianxun Zhao, Peng Chen, Lianshan Sun, Wanqiang Liu
The interfacial instability, arising from uncontrolled zinc nucleation and deposition, remains a critical bottleneck impeding the commercialization of aqueous zinc ion batteries (AZIBs). Herein, we propose an interfacial space confinement strategy through the construction of a three-dimensional (3D) nanosphere-structured multifunctional protective layer (MXene/ZnSe@NC), enabling the rational design and stable operation of dendrite-free anodes. The hierarchical 3D architecture integrates a conductive nanosphere shell of MXene with an inner polyhedral ZnSe@NC framework derived from ZIF-8, collectively demonstrating strong zincophilicity, superior hydrophilicity, and high electrical conductivity. This engineered interface precisely modulates the electric double layer structure, facilitates rapid interfacial charge transfer, and effectively alleviates concentration polarization even under high-current-density operation. In-situ experimental monitoring confirms that the protective layer effectively suppresses H2O-involved side reactions and completely prevents dendrite formation. Consequently, the MXene/ZnSe@NC-modified anode delivers an outstanding cycling stability (1500 h at 10 mA cm−2), and a high Zn utilization efficiency of up to 85%. Furthermore, the MXene/ZnSe@NC-Zn//V₂O₅ full battery retains a high specific capacity of 202 mAh g−1 after 3000 cycles at 5 A g−1, while the corresponding pouch-type battery maintains a capacity of 248 mAh g−1 after 200 cycles at 0.5 A g−1. This work presents a novel interfacial engineering strategy for modifying interfacial structure of Zn anode, offering significant potential for the development of stable advanced AZIBs.
由于锌的成核和沉积失控而引起的界面不稳定性,仍然是阻碍水性锌离子电池(AZIBs)商业化的关键瓶颈。在此,我们提出了一种界面空间约束策略,通过构建三维(3D)纳米球结构的多功能保护层(MXene/ZnSe@NC),实现无枝晶阳极的合理设计和稳定运行。层阶三维结构将导电的MXene纳米球壳与内部多面体ZnSe@NC框架集成在一起,这些框架来源于ZIF-8,共同表现出强大的亲锌性,优越的亲水性和高导电性。该工程界面精确调节了电双层结构,促进了界面电荷的快速转移,即使在高电流密度操作下也能有效缓解浓度极化。现场实验监测证实,保护层有效抑制了h2o参与的副反应,完全阻止了枝晶的形成。因此,MXene/ZnSe@NC-modified阳极提供了出色的循环稳定性(在10 mA cm−2下1500 h)和高达85%的高锌利用率。此外,MXene/ZnSe@NC-Zn//V₂O₅全电池在5 a g - 1下3000次 循环后保持202 mAh g - 1的高比容量,而相应的袋式电池在0.5 a g - 1下200次 循环后保持248 mAh g - 1的容量。这项工作提出了一种新的界面工程策略来改变锌阳极的界面结构,为开发稳定的先进azib提供了巨大的潜力。
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引用次数: 0
Hydrated salt composites with binary carbon networks and laser-treated hydrophobic surfaces for multifunctional outdoor building thermal management 具有二元碳网络和激光处理疏水表面的水合盐复合材料用于多功能室外建筑热管理
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.174029
Yizhe Liu, Weizheng Cheng, Yangzhe Xu, Modi Jiang, Benwei Fu, Chengyi Song, Wen Shang, Peng Tao, Tao Deng
Integrating low-cost hydrated salt phase change materials (PCMs) into buildings such as sunrooms represents an attractive strategy to mitigate temperature fluctuation caused by weather change and enhance thermal comfort without consuming extra energy. However, hydrated salts usually suffer from strong supercooling, low thermal conductivity, poor solar absorptance and leakage after melting, and conventional composite design cannot simultaneously overcome these shortcomings. In this work, we report the design and fabrication of multifunctional hydrated salt PCM composites through compression molding of sodium acetate trihydrate (SAT), disodium hydrogen phosphate dodecahydrate (DHPD), hydrophilic carbon nanotubes (CNTs) and expanded graphite (EG) into monolithic blocks and subsequent surface cross-hatch laser scanning and wax deposition. The optimal SAT composites loaded with 3 wt% DHPD, 2 wt% CNTs, and 16 wt% EG demonstrate a thermal conductivity of 7.49 W/m·K, a latent heat of 175.5 J/g, and a supercooling degree of 0.72 °C. Laser treatment amplifies surface roughness of the composites, which achieves a high solar absorptance of 97% and creates hydrophobic self-cleaning surfaces for automatic removal of dusts and solar-accelerated deicing. In sunroom thermal management tests, it reduces peak indoor temperatures by 15.3 °C and extends indoor comfortable durations through absorbing excessive solar heating at daytime and releasing stored latent heat after sunset. Such multifunctional hydrated salt PCM composites not only intelligently regulate the indoor temperature of sunrooms but also effectively prevent dust accumulation and ice formation on building surfaces, demonstrating broad applicability for passive thermal management under diverse weather conditions.
将低成本的水合盐相变材料(pcm)整合到建筑中,如日光房,这是一种有吸引力的策略,可以减轻天气变化引起的温度波动,并在不消耗额外能源的情况下提高热舒适度。然而,水合盐通常存在过冷性强、导热系数低、太阳能吸收率差、熔融后泄漏等缺点,传统的复合材料设计无法同时克服这些缺点。在这项工作中,我们报告了通过压缩成型三水合乙酸钠(SAT)、十二水合磷酸氢二钠(DHPD)、亲水性碳纳米管(CNTs)和膨胀石墨(EG)成整体块,然后进行表面交叉扫描和蜡沉积,设计和制造多功能水合盐PCM复合材料。负载3 wt% DHPD、2 wt% CNTs和16 wt% EG的最佳SAT复合材料的导热系数为7.49 W/m·K,潜热为175.5 J/g,过冷度为0.72 °C。激光处理提高了复合材料的表面粗糙度,达到了97%的高太阳能吸收率,并创造了疏水自清洁表面,用于自动去除灰尘和太阳能加速除冰。在日光房热管理测试中,它将室内峰值温度降低了15.3 °C,并通过在白天吸收过多的太阳能加热,在日落后释放储存的潜热,延长了室内舒适的持续时间。这种多功能水合盐PCM复合材料不仅能智能调节日光房室内温度,还能有效防止建筑表面积尘结冰,在多种天气条件下具有广泛的被动热管理适用性。
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引用次数: 0
A bioinspired integrated aerogel evaporator for ultra-high power and sustainable electricity generation 一种生物灵感集成气凝胶蒸发器,用于超高功率和可持续发电
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.174033
Yutong Huang, Denan Kong, Weitong Chen, Wenjie Dou, Ning Zhang, Rong Chen, Shengze Hu, Xu Han, Xianbao Wang, Quanzhen Zhang, Teng Zhang, Baofei Hou, Biyun Shi, Yeliang Wang, Shengdan Tao, Weidong Dou
Harvesting and converting energy from natural water cycle into distributed electricity by hydrovoltaic generators (HVGs) offers an effective approach for green and sustainable power supply. However, conventional HVGs primarily depend on the interaction between moving water and hydrophilic functional groups (such as -COOH and -OH), resulting in power output limited to the order of a few μWcm−2. Inspired by the transpiration of luffa, we construct an integrated evaporation-driven hydrovoltaic generator (I-EHVG). The synergistic effect of biomimetic hydrophilic microporous framework and asymmetric electrode facilitate continuous water transport and directional migration of H+ and Al3+ ions, enabling efficient and sustainable power generation. Notably, the optimized I-EHVG (2.5 cm in diameter) demonstrates outstanding power density of 877.6 μWcm−2, achieving a two-order-of-magnitude improvement over conventional HVGs. Moreover, the I-EHVG can directly power electronic devices and its output performance can be substantially enhanced by integrating multiple power generation units. This study establishes a reliable and efficient strategy for fabricating high-performance, sustainable HVGs, paving the pathway for the development of more advanced hydroelectric technologies.
通过水力发电机(hvg)收集和转换自然水循环中的能量并将其转化为分布式电力,为绿色和可持续的电力供应提供了有效途径。然而,传统的HVGs主要依赖于运动水与亲水性官能团(如-COOH和-OH)之间的相互作用,导致输出功率限制在几μWcm−2量级。受丝瓜蒸腾作用的启发,我们构建了一个集成的蒸发驱动水轮发电机(I-EHVG)。仿生亲水微孔框架和不对称电极的协同作用,促进了水的连续输送和H+、Al3+离子的定向迁移,实现了高效、可持续的发电。值得注意的是,优化后的I-EHVG(直径2.5 cm)的功率密度为877.6 μWcm−2,比传统的hvg提高了两个数量级。此外,I-EHVG可以直接为电子设备供电,并且通过集成多个发电单元可以大大提高其输出性能。本研究为制造高性能、可持续的hvg建立了可靠、高效的策略,为开发更先进的水力发电技术铺平了道路。
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引用次数: 0
Behavioral dynamics of ozone microbubbles during their shrinking and collapse stages 臭氧微泡在收缩和破裂阶段的行为动力学
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.173487
Jiahao Liang, Jiashuo Meng, Mian Wu, Li Feng, Liqiu Zhang
Currently, research on the behavioral dynamics of ozone microbubbles (OMBs) is still insufficient, which restricts in-depth studies on the oxidation mechanism of this process. In response, a shrinking stage model was built using optimized Epstein-Plesset and force equations, validated via experiments. A collapse stage model based on Keller equation considered temp changes and heat conduction. MATLAB simulations show that during the shrinking stage of OMBs, two independent factors affect the shrinking rate significantly. One is the size of OMBs, the smaller OMBs exhibit a faster shrinking rate. Another is the ozone concentration in the solution, a higher one in the solution leads to a slower shrinking rate of OMBs. Furthermore, the instantaneous rise velocity of OMBs reaches a peak within 1 ms and then decreases. Larger-sized microbubbles have a higher rise velocity, slower attenuation, shorter residence time in the solution, and their trajectories are close to vertical ascent. In the collapse stage, the internal temperature and pressure of the bubble reach 3198.83 K and 913.56 MPa respectively, while the liquid phase temperature at the interface rises to 343.75 K. The high temperature lasts only 4.6 μs, and the entire process is a quasi-adiabatic compression process involving heat conduction. During collapse, the number of ozone molecules in the microbubble drops sharply to zero, with approximately 75.7% mass transferring to the liquid phase and 24.3% decomposing during quasi-adiabatic compression to generate hydroxyl radicals (·OH). However, the concentration of ·OH is only about 6.3 × 10−15 mol/L, which is at a negligible level. Therefore, the collapse of OMBs makes a weak contribution to the degradation of pollutants in sewage and hardly plays an effective promoting role.
目前,对臭氧微泡(OMBs)行为动力学的研究还不够充分,制约了对该过程氧化机理的深入研究。基于优化后的Epstein-Plesset和力方程,建立了收缩阶段模型,并通过实验进行了验证。基于Keller方程的坍塌阶段模型考虑了温度变化和热传导。MATLAB仿真结果表明,在omb收缩阶段,有两个独立的因素对其收缩速率有显著影响。一个是omb的大小,较小的omb表现出更快的收缩速度。另一个是溶液中的臭氧浓度,溶液中的臭氧浓度越高,omb的收缩速度越慢。此外,OMBs的瞬时上升速度在1ms内达到峰值,然后下降。粒径较大的微泡上升速度较快,衰减速度较慢,在溶液中的停留时间较短,轨迹接近垂直上升。在崩溃阶段,气泡内部温度和压力分别达到3198.83 K和913.56 MPa,界面液相温度上升到343.75 K。高温持续时间仅为4.6 μs,整个过程是一个包含热传导的准绝热压缩过程。在崩塌过程中,微泡中的臭氧分子数量急剧下降至零,约75.7%的质量转移到液相,24.3%的臭氧分子在准绝热压缩过程中分解生成羟基自由基(·OH)。而·OH的浓度仅为6.3 × 10−15 mol/L左右,处于可忽略的水平。因此,OMBs的倒塌对污水中污染物的降解贡献较弱,难以起到有效的促进作用。
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引用次数: 0
Continuous flow synthesis of fluconazole monitored by inline ultraviolet spectroscopy: 3D microfluidic platform and Bayesian optimization 在线紫外光谱监测氟康唑连续流合成:三维微流控平台与贝叶斯优化
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.173906
Jing Ren, Sheng Han, Guoyue Shi
Active Pharmaceutical Ingredients (APIs) face significant challenges in end-to-end continuous flow synthesis, including low throughput, inefficient condition optimization, and discontinuous multi-step processes. This study develops a methodological framework for the continuous flow synthesis of fluconazole, centered on three key innovations: a milliliter-scale 3D microfluidic chip (MFC) with a high-density Barker transform structure, which achieves >99% mixing efficiency within 6 s (Reynolds number 3–350) and overcomes the volume limitation of traditional microfluidics; a synergistic optimization strategy combining Bayesian Optimization (BO) and in-line UV monitoring, which identifies optimal reaction conditions with minimal experiments; and a fully uninterrupted flow process integrating in-line extraction and circulating flow, eliminating off-line workup and streamlining time-consuming steps. Applied to fluconazole synthesis, this framework achieves an 86% yield in 2 h and 40 min, outperforming traditional batch processes and existing continuous flow routes. This work provides a scalable methodological paradigm for the full-process continuous synthesis of other APIs, highlighting the value of integrated device-design, real-time analytics, and process regulation in pharmaceutical manufacturing.
活性药物成分(api)在端到端连续流合成中面临着巨大的挑战,包括低通量、低效的条件优化和不连续的多步工艺。本研究开发了氟康唑连续流合成的方法框架,主要围绕三个关键创新:一种具有高密度巴克变换结构的毫升级3D微流控芯片(MFC),在6 s(雷诺数3-350)内实现99%的混合效率,克服了传统微流控的体积限制;结合贝叶斯优化(BO)和在线紫外监测的协同优化策略,以最少的实验确定最优反应条件;完全不间断的流程集成了在线提取和循环流程,消除了离线修井,简化了耗时的步骤。应用于氟康唑合成,该框架在2 h和40 min内达到86%的收率,优于传统的间歇工艺和现有的连续工艺路线。这项工作为其他api的全流程连续合成提供了可扩展的方法范例,突出了集成设备设计,实时分析和制药制造过程监管的价值。
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引用次数: 0
In-situ polymerization enabled multi-scale interface engineering of SnS2-helical carbon nanofibers for kinetics-enhanced and mechanically robust lithium storage 原位聚合实现了sns2 -螺旋碳纳米纤维的多尺度界面工程,以增强动力学和机械坚固的锂存储
IF 15.1 1区 工程技术 Q1 ENGINEERING, CHEMICAL Pub Date : 2026-02-10 DOI: 10.1016/j.cej.2026.173987
Wenjun Zhang, Yonghong Liu, Ge Chen, Jiajun Huang, Tao Xu, Yongzhong Jin, Jian Chen
The practical application of high-capacity tin disulfide (SnS2) anodes for lithium-ion batteries (LIBs) is severely hindered by their intrinsic poor conductivity, substantial volume expansion, and unstable solid-electrolyte interphase. Herein, a multi-level hierarchical architecture is rationally designed, comprising petal-like SnS2 nanosheets anchored on a three-dimensional helical carbon nanofibers (HCNFs) scaffold, further encapsulated by a conformal polypyrrole-derived N-doped carbon layer (denoted as PPy@SnS2/HCNFs). The unique helical carbon framework provides exceptional elasticity to dissipate cyclic stress and a continuous conductive network, while the N-doped carbon coating significantly enhances interfacial charge transfer, stabilizes the electrode/electrolyte interface, and introduces abundant active sites. As a result, the optimized PPy@SnS2/HCNFs composite (with about 11.32 wt% PPy-derived carbon) delivers outstanding lithium storage performance, including a high reversible capacity of 997.6 mAh/g after 100 cycles at 200 mA/g and superior rate capability (574.3 mAh/g at 2000 mA/g). Systematic electrochemical kinetics analysis combined with density functional theory (DFT) calculations reveals that the N-doped carbon layer not only enhances the electronic state density, optimizes the interfacial charge distribution, strengthens Li+ adsorption energy (from −1.23 to −3.87 eV) and reduces Li+ diffusion barriers (from 0.42 to 0.28 eV), but also promotes a dominant pseudocapacitive charge storage mechanism (76.2% contribution at 1.6 mV/s). This work elucidates the synergistic interplay between conductive helical scaffolds and functional carbon coatings, demonstrating a promising strategy with the potential for developing high-energy LIBs.
高容量二硫化锡(SnS2)阳极的导电性差、体积膨胀大、固-电解质界面不稳定,严重阻碍了其在锂离子电池(LIBs)中的实际应用。本文合理设计了一种多层分层结构,包括花瓣状SnS2纳米片锚定在三维螺旋碳纳米纤维(HCNFs)支架上,进一步被保形聚吡喃衍生的n掺杂碳层(表示为PPy@SnS2/HCNFs)包裹。独特的螺旋碳框架提供了优异的弹性来消散循环应力和连续的导电网络,而n掺杂碳涂层显著增强了界面电荷转移,稳定了电极/电解质界面,并引入了丰富的活性位点。因此,优化后的PPy@SnS2/HCNFs复合材料(含约11.32 wt% py衍生碳)具有出色的锂存储性能,包括在200 mA/g下100次 次循环后的高可逆容量997.6 mAh/g和优越的倍率容量(2000 mA/g下574.3 mAh/g)。系统的电化学动力学分析结合密度泛函理论(DFT)计算表明,n掺杂碳层不仅提高了电子态密度,优化了界面电荷分布,增强了Li+吸附能(从- 1.23到- 3.87 eV),降低了Li+扩散势垒(从0.42到0.28 eV),而且促进了主要的赝电容电荷存储机制(在1.6 mV/s下贡献76.2%)。这项工作阐明了导电螺旋支架和功能碳涂层之间的协同相互作用,展示了一种具有开发高能lib潜力的有前途的策略。
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引用次数: 0
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Chemical Engineering Journal
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