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Synergistic mitigation of erosion on vertical water-cooled walls with bionic anti-wear devices 仿生抗磨损装置对垂直水冷壁侵蚀的协同缓解作用
IF 4 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-15 DOI: 10.1002/aic.70185
Yiwei Gao, Xin Li, Hao Song, Yong Zhan, Kaigang Guo, Liping Wei

The erosion of bed materials and coal ash on water-cooled walls presents a persistent technical challenge in circulating fluidized bed boiler systems, manifesting as increased frequency of unplanned shutdowns and elevated maintenance requirements. Traditional metal anti-wear devices, due to inherent structural limitations, struggle to achieve optimal coordination between velocity and pressure gradient fields, making them prone to erosion and limiting their overall wear resistance. This study proposes bionic anti-wear devices inspired by squid fin and shark dorsal fin. The experimental and simulation results show that bionic devices can optimize the coordination between the velocity and pressure gradient fields. Compared to the traditional right-angle triangular device, the shark dorsal fin-inspired device reduces the windward surface area by 3.25%, maximum pressure coefficient by 50%–60%, and the erosion rate by 93.55%. This study provides an innovative approach for developing next-generation anti-wear devices with enhanced wear resistance.

在循环流化床锅炉系统中,床料和煤灰对水冷壁的侵蚀是一个持续的技术挑战,表现为计划外停机频率的增加和维护要求的提高。由于固有的结构限制,传统的金属抗磨装置难以在速度和压力梯度场之间实现最佳协调,这使得它们容易受到侵蚀,并限制了它们的整体耐磨性。本文以鱿鱼鳍和鲨鱼背鳍为灵感,提出了仿生抗磨装置,实验和仿真结果表明,仿生装置可以优化速度场和压力梯度场之间的协调。与传统直角三角形装置相比,鲨鱼背鳍装置的迎风面面积减少3.25%,最大压力系数减少50% ~ 60%,侵蚀率减少93.55%。该研究为开发具有增强耐磨性的下一代抗磨装置提供了一种创新方法。
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引用次数: 0
Design, optimization, and simulation of vacuum membrane distillation module recovering ammonia-N from biogas slurry 真空膜蒸馏从沼液中回收氨氮模块的设计、优化与仿真
IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-15 DOI: 10.1002/aic.70201
Yuchen Sun, Yicong Chen, Zeyang Zhang, Jingqi Lin, Dong Xia, Qingbiao Li, Yuanpeng Wang
This study explores the design, optimization, and simulation of membrane modules for effective ammonia-N recovery from biogas slurry using vacuum membrane distillation technology. Three distinct modules are specifically constructed, involving the original membrane module (OMM), aeration-enhanced membrane module (AMM), and stirring-enhanced membrane module (SMM). Compared to OMM, the flux of AMM and SMM increased by 85% and 72%, respectively, along with the ammonia-N recovery rate increasing by 43% and 40%, respectively, attributing to their enhanced turbulence and reduced concentration polarization. Computational fluid dynamics simulations unravel that both AMM and SMM exhibit optimized parameters compared to OMM, involving flow dynamics, shear stress distribution, and temperature gradients across the membrane interfaces, leading to improved ammonia-N flux and recovery rate. Through systematic comparisons, this study identifies optimal operating conditions for improved ammonia-N recovery efficiency, membrane longevity, and provides insights into membrane module modifications to address challenges regarding ammonia-N recovery from real-life biogas slurry.
本研究探讨了利用真空膜蒸馏技术从沼液中有效回收氨氮的膜模块的设计、优化和模拟。三个不同的模块被特别构建,包括原始膜模块(OMM),曝气增强膜模块(AMM)和搅拌增强膜模块(SMM)。与OMM相比,AMM和SMM的通量分别提高了85%和72%,氨氮回收率分别提高了43%和40%,这是由于AMM和SMM增强了湍流性,降低了浓度极化。计算流体动力学模拟表明,与OMM相比,AMM和SMM都具有优化的参数,包括流动动力学、剪切应力分布和膜界面温度梯度,从而提高了氨氮通量和回收率。通过系统比较,本研究确定了提高氨氮回收效率和膜寿命的最佳操作条件,并为膜模块修改提供了见解,以解决现实生活中沼液中氨氮回收的挑战。
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引用次数: 0
Data–physics fusion for complex fluid systems based on Physics-Constrained Dynamic Mode Decomposition 基于物理约束动态模态分解的复杂流体系统数据-物理融合
IF 4 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-12 DOI: 10.1002/aic.70170
Yuhui Yin, Chenhui Kou, Shengkun Jia, Xigang Yuan, Yiqing Luo

The standard Dynamic Mode Decomposition (DMD), when used in complex fluid flow modeling, often suffers from situations like noisy data and translational motion, leading to high errors and non-physical results. Meanwhile, purely physics-based numerical methods offer high accuracy but are computationally intensive. To bridge this gap, this paper proposes a Physics-Constrained Dynamic Mode Decomposition (PCDMD) framework, which integrates governing physical laws into the DMD to constrain predicted results by using Kalman correction. This hybrid approach retains the speed of DMD while improving accuracy by ensuring that predictions obey the underlying physics. We systematically evaluated the PCDMD on flow problems with increasing complexity, including lid-driven cavity flow, flow around a cylinder with concentration transport, and a rising bubble system. In each case, PCDMD significantly improves both the predictive accuracy and physical consistency. By balancing between the data-driven modeling and physical correction, the PCDMD remains robust under imperfect data and physical equations.

标准的动态模态分解(DMD)在复杂的流体流动建模中经常受到噪声数据和平移运动等情况的影响,从而导致高误差和非物理结果。与此同时,纯粹基于物理的数值方法提供了很高的精度,但计算量很大。为了弥补这一差距,本文提出了一个物理约束的动态模式分解(PCDMD)框架,该框架将控制物理定律集成到DMD中,通过使用卡尔曼校正来约束预测结果。这种混合方法保留了DMD的速度,同时通过确保预测服从底层物理来提高准确性。我们系统地评估了PCDMD在日益复杂的流动问题上的应用,包括盖子驱动的空腔流动、具有浓度输送的圆柱体周围流动和上升气泡系统。在每种情况下,PCDMD都显著提高了预测精度和物理一致性。通过在数据驱动建模和物理校正之间的平衡,PCDMD在不完善的数据和物理方程下保持鲁棒性。
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引用次数: 0
Prediction of Taylor flow in microchannels based on generative artificial intelligence 基于生成式人工智能的微通道泰勒流预测
IF 4 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-12 DOI: 10.1002/aic.70181
Pengli Chen, Saier Liu, Zhangyi Gao, Min Qiu, You Ma, Zhenlun Wang, Xin Jin, Zhiling Xin, Minjing Shang, Yuanhai Su

Flow pattern prediction in multiphase systems is essential for characterizing hydrodynamic properties and optimizing mass/heat transfer efficiency. Herein, we propose a generative artificial intelligence (GenAI) flow pattern prediction framework for rapidly processing and analyzing large–scale flow pattern image data, with the first application to predictive modeling of gas–liquid Taylor flow in microchannels. The forecasting results of this GenAI–based prediction framework do not consist of discrete flow pattern classification labels but rather intuitive, spatially resolved high-fidelity visualization results comparable to experimental observations under steady–state operating conditions (e.g., high–resolution flow pattern images captured by high–speed cameras). Notably, the proposed prediction framework overcomes the limitations of conventional methods that only provide category information of flow patterns. More importantly, the model evaluation results demonstrate that this framework can effectively model the correlation between operating conditions and corresponding flow characteristics within microchannels, thereby validating the great potential of this GenAI technology for multiphase flow research.

多相系统的流型预测是表征流体动力特性和优化传质/传热效率的重要手段。在此,我们提出了一个生成式人工智能(GenAI)流型预测框架,用于快速处理和分析大规模流型图像数据,并首次应用于微通道中气液泰勒流的预测建模。这种基于genai的预测框架的预测结果不包括离散的流型分类标签,而是直观的、空间分辨的高保真可视化结果,可与稳态操作条件下的实验观察相比较(例如,由高速摄像机捕获的高分辨率流型图像)。值得注意的是,所提出的预测框架克服了传统方法仅提供流型类别信息的局限性。更重要的是,模型评估结果表明,该框架可以有效地模拟微通道内操作条件与相应流动特性之间的相关性,从而验证了GenAI技术在多相流研究中的巨大潜力。
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引用次数: 0
Toward sustainable and scalable synthesis of ibuprofen: Integrative insights into batch and continuous flow strategies 迈向可持续和可扩展的布洛芬合成:批量和连续流策略的综合见解
IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-11 DOI: 10.1002/aic.70198
Weichen Yang, Yuxin Liu, Runzi Li, Jie Lv, Youli Zhang, Yanrong Ren, Ziliang Yuan, Zehui Zhang
Ibuprofen, a widely used nonsteroidal anti‐inflammatory drug (NSAID), is valued for its analgesic, antipyretic, and anti‐inflammatory properties. While batch synthesis remains dominant in industry due to its maturity, it presents drawbacks such as long reaction times, high energy consumption, and complex byproduct profiles. In response to growing demands for greener pharmaceutical manufacturing, continuous flow technology has emerged as a promising alternative. It offers enhanced efficiency, scalability, and environmental compatibility. This review highlights recent advancements in ibuprofen synthesis via batch and continuous flow approaches, with a focus on the development of catalytic systems, reactor optimization, and process intensification. The fundamental principles of flow chemistry and the current technical challenges are discussed. The study aims to provide insights into transitioning toward sustainable, high‐efficiency production of ibuprofen and to offer insights into broader applications of flow technology in pharmaceutical synthesiser.
布洛芬是一种广泛使用的非甾体抗炎药(NSAID),因其镇痛、解热和抗炎特性而受到重视。虽然间歇合成由于其成熟而在工业中占据主导地位,但它存在诸如反应时间长,高能耗和复杂副产物概况等缺点。为了应对日益增长的绿色制药需求,连续流技术已成为一种有前途的替代方案。它提供了增强的效率、可伸缩性和环境兼容性。本文综述了间歇法和连续流法合成布洛芬的最新进展,重点介绍了催化系统的发展、反应器优化和工艺强化。讨论了流动化学的基本原理和目前面临的技术挑战。该研究旨在为向可持续、高效的布洛芬生产过渡提供见解,并为流动技术在药物合成中的更广泛应用提供见解。
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引用次数: 0
Efficient low‐temperature NH 3 decomposition to H 2 over strain‐engineered Ru/ Y 2 O 3 ‐ MgO : Kinetic and mechanistic insights 应变工程Ru/ y2o3 - MgO上高效低温nh3分解为h2:动力学和机理研究
IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-11 DOI: 10.1002/aic.70187
Dong Zhang, Bing‐Hao Wang, Ren‐Shi Tang, Jun‐Kang Guo, Zheng Li, Xing‐Chen Gong, Ji‐Zhou Yang, Jun‐Jun Yao, Le Xie, Lang Chen, Shuang‐Feng Yin
Ammonia decomposition is a promising route for on‐demand hydrogen production. Herein, we report the synthesis of a compressive‐strained Ru/Y 2 O 3 ‐MgO catalyst that exhibits exceptional low‐temperature activity for ammonia decomposition. Comprehensive characterizations reveal an ultrathin nanosheet morphology with strong metal‐support interactions, which induce lattice mismatch and generate a compressive strain of approximately 4.9%. Kinetic modeling and density functional theory calculations both identify recombination desorption of N 2 as the rate‐determining step. The compressive strain modulates the electronic structure by shifting its center downward, thereby reducing the activation energy for NN bond recombination and enhancing catalytic performance. Remarkably, the optimized catalyst with ultralow Ru loading (0.91 wt%) achieves an unprecedented hydrogen production rate of 2479.9 mmol·g Ru −1 ·min −1 at 450°C, the highest reported value under comparable conditions. This work provides both kinetic and mechanistic insights into the role of strain engineering in promoting ammonia decomposition, offering a promising avenue for efficient hydrogen production.
氨分解是一种很有前途的按需制氢途径。在此,我们报道了一种压缩应变Ru/ y2o3 - MgO催化剂的合成,该催化剂具有优异的低温氨分解活性。综合表征揭示了具有强金属-支撑相互作用的超薄纳米片形态,这导致晶格失配并产生约4.9%的压缩应变。动力学模型和密度泛函理论计算都确定n2的重组解吸是速率决定步骤。压缩应变通过将电子结构的中心向下移动来调节电子结构,从而降低N - _ - N键重组的活化能,提高催化性能。值得注意的是,优化后的超低Ru负载(0.91 wt%)催化剂在450°C下的产氢率为2479.9 mmol·g Ru−1·min−1,是同类条件下报道的最高产氢率。这项工作为应变工程在促进氨分解中的作用提供了动力学和机理上的见解,为高效制氢提供了一条有前途的途径。
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引用次数: 0
Heterogeneous peroxidation of benzoyl chloride with H2O2 in packed-bed microreactors: Reaction regime and kinetics 填料床微反应器中苯甲酰氯与H2O2的非均相过氧化反应:反应机制和动力学
IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-10 DOI: 10.1002/aic.70196
Yuyang Xu, Rao Chen, Mei Yang, Lixia Yang, Shuainan Zhao, Chaoqun Yao, Guangwen Chen
Benzoyl peroxide (BPO), a widely used diacyl peroxide, is typically synthesized via heterogeneous peroxidation of benzoyl chloride (BC) and H2O2 in batch reactors—a process that suffers from low space–time yields and safety concerns. This study developed a safe and efficient continuous-flow synthesis using packed-bed microreactors. Importantly, a kinetic model coupling intrinsic reaction kinetics and mass transfer was established and validated across different packing sizes, providing mechanistic insight into the heterogeneous liquid–liquid process. The main reaction followed a slow regime governed by both kinetics and mass transfer, whereas the hydrolysis side reaction occurred in a very slow regime with negligible mass transfer resistance. Consequently, packed-bed microreactors enhanced mass transfer and improved BPO selectivity. Under optimal conditions (NaOH/BC = 1.0, H2O2/BC = 0.6, 50°C), a 94.4% BPO yield was achieved within 120 s. The space–time yield was over 51 times that of batch reactors. This study offers insights for intensifying and scaling up diacyl peroxide syntheses.
过氧化苯甲酰(BPO)是一种广泛使用的过氧化二酰基,通常是在间歇反应器中通过苯甲酰氯(BC)和H2O2的非均相过氧化反应合成的,该过程存在低时空产率和安全性问题。本研究开发了一种安全高效的填充床微反应器连续流合成方法。重要的是,建立并验证了在不同填料尺寸下耦合固有反应动力学和传质动力学的动力学模型,为非均相液-液过程提供了机理见解。主反应遵循一个由动力学和传质共同控制的缓慢过程,而水解副反应发生在一个非常缓慢的过程中,传质阻力可以忽略不计。因此,填料床微反应器提高了传质和BPO选择性。在最佳条件(NaOH/BC = 1.0, H2O2/BC = 0.6, 50℃)下,120 s内BPO产率可达94.4%。时空产率是间歇式反应器的51倍以上。这项研究为强化和扩大过氧化二酰基合成提供了见解。
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引用次数: 0
Stoichiometry model identification for homogeneous reaction mixture: High-dimension and missing measurement case studies 均相反应混合物的化学计量模型鉴定:高维和缺失测量案例研究
IF 4 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-10 DOI: 10.1002/aic.70183
Yafeng Xing, Yachao Dong, Christos Georgakis, Aaron Gould

We address the identification of the actual stoichiometric network in reacting systems using composition measurements, extending our previous work (Fromer et al. I&ECR 2023). We generalize this algorithm for scenarios where not all species are measured and back-calculate the missing concentrations through the reaction extents of the candidate network. In addition to the prior global accuracy comparison among candidate reaction networks, we introduce a species-by-species F-test accuracy comparison between the most accurate reaction networks from the global assessment. We examine two case studies involving 7 and 11 species participate in 4 or 8 reactions, respectively. In the second case study, the 8 reactions are linearly dependent, presenting an additional challenge. The enhanced algorithm successfully identifies the actual reaction network as the most accurate, even with 4 of the 11 species not measured.

我们使用成分测量解决了反应系统中实际化学计量网络的识别,扩展了我们以前的工作(Fromer等人)。打折期ECR 2023)。我们将该算法推广到并非所有物种都被测量的情况,并通过候选网络的反应范围反算缺失浓度。除了在候选反应网络之间进行先前的全局精度比较之外,我们还介绍了在全球评估中最准确的反应网络之间逐物种的F检验精度比较。我们研究了两个案例,分别涉及7个和11个物种参与4个或8个反应。在第二个案例研究中,8个反应是线性相关的,这是一个额外的挑战。改进后的算法成功地识别出了最准确的实际反应网络,即使11个物种中有4个没有被测量。
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引用次数: 0
Development and systematic evaluation of triamine-based functional deep eutectic solvents for efficient CO2 capture 高效捕集CO2的三胺基功能性深共晶溶剂的开发与系统评价
IF 4 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-10 DOI: 10.1002/aic.70184
Qiangbing Shi, Kaige Jia, Xiangping Zhang, Chuan Wang, Paul Cobden, Anna-Maria Beregi Amnéus, David Muren, Xiaoyan Ji

The development of advanced absorbents for effectively capturing carbon dioxide is crucial in mitigating greenhouse gas emissions. This study introduced a series of deep eutectic solvents (DESs) for CO2 capture and identified the most promising DESs with the stepwise screening method based on their absorption capacity, absorption rate, thermal stability, desorption efficiency, and apparent activation energy. Consequently, compared to the monoethanolamine (MEA), in the 30 wt% aqueous solutions, [1,2,3-Triazolium chloride][diethylenetriamine] ([TrizCl][DETA]) and [Piperazinium chloride][diethylenetriamine] ([PzCl][DETA]) improved the CO2 absorption capacities by 31% and 34%, absorption rates by 12% and 30%, and the amounts of CO2 desorbed by 42% and 23%, as well as reduced the apparent activation energies by 9% and 28%, respectively. Meanwhile, their thermal stabilities (degradation onset temperatures, Tonset) were enhanced by 101% and 32%, respectively. The FTIR and NMR analyses were conducted to provide deeper insights into the chemical absorption mechanism of CO2 by the DESs.

开发有效捕获二氧化碳的先进吸收剂对于减少温室气体排放至关重要。本研究介绍了一系列用于CO2捕集的深度共晶溶剂(DESs),并根据其吸附能力、吸收率、热稳定性、解吸效率和表观活化能,采用逐步筛选的方法确定了最有前途的深度共晶溶剂。结果表明,与单乙醇胺(MEA)相比,在30% wt%的水溶液中,[1,2,3-氯化三唑][二乙基三胺]([TrizCl][DETA])和[氯化哌嗪][二乙基三胺]([PzCl][DETA])的CO2吸收能力分别提高31%和34%,吸收率分别提高12%和30%,CO2解吸量分别提高42%和23%,表观活化能分别降低9%和28%。同时,它们的热稳定性(降解起始温度,Tonset)分别提高了101%和32%。FTIR和NMR分析为DESs对CO2的化学吸收机理提供了更深入的见解。
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引用次数: 0
Rationally engineering interfacial polymerization toward covalent organic framework membranes mediated by ionic liquids 合理设计离子液体介导的共价有机骨架膜界面聚合
IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-09 DOI: 10.1002/aic.70186
Ke Wang, Wei Cao, Kunchi Xie, Shuyun Gu, Siyao Li, Zhiwen Qi, Zhen Song, Zhi Xu
Liquid–liquid interfacial polymerization (IP) serves as a facile method for fabricating covalent organic framework (COF) membranes, while designing task‐specific IP systems remains a huge challenge. This work proposes a rational strategy to achieve controlled IP by monomer–catalyst–biphasic solvents matching, integrating thermodynamic predictions and dynamic insights. For the IP engineering, ionic liquids (ILs) are introduced into the biphasic solvent system due to their unique physicochemical properties. Utilizing conductor‐like screening model for realistic solvents (COSMO‐RS) calculations, deep learning‐aided physical properties predictions, and molecular dynamics simulations, 10 promising pairs were identified from 622 candidates. This strategy enables the transition from highly cross‐linked amorphous membranes to uniform crystalline membranes with reduced thickness (from 520 to 124 nm), synergizing thermodynamic partition and diffusion regulation. The membranes exhibit increased water permeance (from 0.022 to 7.43 L·m −2 ·h −1 ·bar −1 ) and high antibiotic desalination efficiency. Furthermore, this strategy is successfully extended to other COF membranes, enriching the tuning flexibility of IP system for the development of novel COF membranes.
液-液界面聚合(IP)是制备共价有机框架(COF)膜的一种简便方法,而设计特定任务的IP系统仍然是一个巨大的挑战。本研究提出了一种合理的策略,通过单体-催化剂-双相溶剂匹配,整合热力学预测和动力学见解来实现受控IP。离子液体由于其独特的物理化学性质而被引入到双相溶剂体系中。利用实际溶剂的导体筛选模型(COSMO‐RS)计算、深度学习辅助的物理性质预测和分子动力学模拟,从622个候选物中确定了10对有希望的配对。这种策略使得从高度交联的非晶膜过渡到厚度减少的均匀晶体膜(从520纳米到124纳米),协同热力学分配和扩散调节。膜的透水性提高(从0.022到7.43 L·m−2·h−1·bar−1),抗菌素脱盐效率高。此外,该策略已成功推广到其他COF膜,为新型COF膜的开发提供了丰富的IP系统的调整灵活性。
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引用次数: 0
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