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Particle flocculation and thickening by multiscale CFD modeling: A focus on wide solid concentration field 基于多尺度CFD模型的颗粒絮凝与增稠:聚焦于宽固体浓度场
IF 4 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-19 DOI: 10.1002/aic.70182
Zhiran Mao, Xuetao Wang, Yuchen Shao, Yulian Wang, Yangyang Liu, Yisheng Jiang, Baoyu Cui, Andrew Bayly

Flocculation–thickening is widely used in mineral processing and various chemical engineering fields. The flocculation in the thickener feedwell plays a key role in the tailings slurry thickening process. Hydrodynamic conditions directly affect particle flocculation kinetics and subsequent settling rates, thus determining the overall performance of the thickener. This study employs a multiscale modeling approach to investigate how feed solid concentration affects flow characteristics and flocculation–settling performance in a pilot-scale deep cone thickener, in which Computational Fluid Dynamics-Population Balance Model (CFD-PBM) and a Two-Fluid Model with Kinetic Theory of Granular Flow (TFM-KTGF) were applied to simulate flocculation and settling behavior, respectively. Results show that medium solid concentration promotes particle aggregation via optimal turbulence dissipation. Increasing concentration reduces both the initial settling rate ratio of flocs and the settling differential between particle sizes. These findings enhance the understanding of flocculation–thickening mechanisms and support process optimization in solid–liquid separation fields.

絮凝-增稠技术广泛应用于选矿和各种化工领域。浓密机给料井中的絮凝在尾矿浆的浓密过程中起着关键作用。水动力条件直接影响颗粒絮凝动力学和随后的沉降速率,从而决定了增稠剂的整体性能。本研究采用多尺度建模方法研究了进料固体浓度如何影响中试深锥浓密机的流动特性和絮凝沉降性能,分别采用计算流体动力学-种群平衡模型(CFD - PBM)和颗粒流动动力学理论双流体模型(TFM - KTGF)模拟絮凝和沉降行为。结果表明,中等固体浓度通过最佳湍流耗散促进颗粒聚集。浓度的增加降低了絮凝体的初始沉降速率比和不同粒径的沉降差。这些发现增强了对絮凝-增稠机理的认识,并为固液分离领域的工艺优化提供了支持。
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引用次数: 0
Direct numerical simulations and modeling of pseudoplastic fluid mixing driven by a perturbed six‐bent‐blade turbine 由扰动六弯叶片涡轮驱动的假塑性流体混合的直接数值模拟和建模
IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-17 DOI: 10.1002/aic.70189
Juanjuan Qiao, Tian Liu, Longhao Xiang, Cheng Peng, Songying Chen
The cavern effect strongly impacts mixing efficiency in pseudoplastic fluids stirred in tanks. Perturbed six‐bent‐blade turbine impellers suppress cavern formation effectively, yet existing models cannot predict cavern size and morphology consistently. To overcome this, we develop a high‐fidelity framework coupling the lattice Boltzmann method with the immersed boundary method, enabling direct numerical simulations of pseudoplastic fluid mixing driven by a rotating perturbed six‐bent‐blade turbine. By varying mass concentration and rotational speed, we identify three distinct flow regimes. Based on these results, we propose an elongated heart‐shaped cavern model that predicts cavern geometry and size across regimes and apparent Reynolds numbers. Incorporating impeller perturbation effects, we further introduce a six‐petal rose model that captures the periodicity of the phase‐averaged flow field, achieving unprecedented accuracy in reproducing cavern morphology. Together, these models provide physical insights and practical tools for optimizing pseudoplastic fluid mixing.
溶洞效应强烈地影响了在槽内搅拌的假塑性流体的混合效率。受扰动的六弯叶片涡轮能有效地抑制洞室的形成,但现有的模型不能一致地预测洞室的大小和形态。为了克服这个问题,我们开发了一种高保真框架,将晶格玻尔兹曼方法与浸入边界方法相结合,从而能够直接数值模拟由旋转扰动六弯叶片涡轮驱动的假塑性流体混合。通过改变质量浓度和转速,我们确定了三种不同的流动形式。基于这些结果,我们提出了一个细长的心形洞穴模型,该模型可以预测洞穴的几何形状和大小,跨越区域和表观雷诺数。结合叶轮扰动效应,我们进一步引入了一个六瓣玫瑰模型,该模型捕捉了相平均流场的周期性,在再现洞穴形态方面达到了前所未有的精度。总之,这些模型为优化假塑性流体混合提供了物理见解和实用工具。
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引用次数: 0
A two‐dimensional model of the coupled transfer processes for a supercapacitive swing adsorption module 超电容摆动吸附模块耦合传递过程的二维模型
IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-17 DOI: 10.1002/aic.70200
Valery A. Danilov, Gunther Kolb
A two‐dimensional model of coupled transfer processes is developed for a supercapacitive swing adsorption module, encompassing both the adsorption layer and parallel plate electrochemical supercapacitor. The separation process involves heat and mass transfer in combination with adsorption and desorption under the influence of an external electric field (charge transfer). The simulation results suggest the potential for intensifying gas mixture separation by adsorption under an external electric field. The periodic variation in the electric potential causes a periodic variation in the adsorbed component concentration, gas phase component concentration, temperature, velocity, and pressure, together with the coupled momentum, mass, and charge transfer in the porous adsorption layer (carbon cloth) under the external electric field during the capacitor's charging and discharging. The main conclusion is that a new gas separation process, defined as an electric field swing adsorption process, is feasible by combining adsorption and charge transfer.
建立了包含吸附层和平行板电化学超级电容器的超电容摆动吸附模块耦合转移过程的二维模型。分离过程包括在外电场(电荷转移)的影响下,传热、传质、吸附和解吸。模拟结果表明,在外加电场作用下,通过吸附加强气体混合物分离的潜力。电势的周期性变化引起了外电场作用下多孔吸附层(碳布)中吸附组分浓度、气相组分浓度、温度、速度和压力的周期性变化,以及耦合的动量、质量和电荷传递。主要结论是,将吸附和电荷转移相结合,建立一种新的气体分离工艺,即电场摆动吸附工艺是可行的。
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引用次数: 0
Embedding Dynamic Microkinetic Modeling Information Into Reduced-Order Models Using Gaussian Processes 利用高斯过程将动态微动力学建模信息嵌入降阶模型
IF 3.7 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2025-12-15 DOI: 10.1002/aic.70194
Claudemi A. Nascimento, San Dinh, David S. Mebane, Fernando V. Lima
In this work, a novel generalizable framework is proposed for obtaining dynamic discrepancy reduced-order models (DD-ROMs) that balance the differences between high-fidelity models (HFMs) and reduced-order models (ROMs) using Gaussian Processes (GPs). The proposed framework encompasses fundamental criteria for addressing missing underlying physics and is the first-of-its-kind to offer a comprehensive insight guided by sensitivity and correlation analyses into where the discrepancy terms must be incorporated. The proposed framework is employed to correct dynamic mismatches between a reduced-order model and a high-fidelity microkinetic model of the steam methane reforming (SMR) reactions. The validation results demonstrate that with the discrepancy function added to the equilibrium constant, the DD-ROM is capable of mimicking the dynamic trajectories of the microkinetic model with high accuracy, exhibiting an <span data-altimg="/cms/asset/1a832197-55e2-41df-bccf-e4632cb0b7bc/aic70194-math-0001.png"></span><mjx-container ctxtmenu_counter="2" ctxtmenu_oldtabindex="1" jax="CHTML" role="application" sre-explorer- style="font-size: 103%; position: relative;" tabindex="0"><mjx-math aria-hidden="true" location="graphic/aic70194-math-0001.png"><mjx-semantics><mjx-mrow><mjx-msup data-semantic-children="0,1" data-semantic- data-semantic-role="latinletter" data-semantic-speech="normal upper R squared" data-semantic-type="superscript"><mjx-mrow><mjx-mi data-semantic-annotation="clearspeak:simple" data-semantic-font="normal" data-semantic- data-semantic-parent="2" data-semantic-role="latinletter" data-semantic-type="identifier"><mjx-c></mjx-c></mjx-mi></mjx-mrow><mjx-script style="vertical-align: 0.363em;"><mjx-mrow size="s"><mjx-mn data-semantic-annotation="clearspeak:simple" data-semantic-font="normal" data-semantic- data-semantic-parent="2" data-semantic-role="integer" data-semantic-type="number"><mjx-c></mjx-c></mjx-mn></mjx-mrow></mjx-script></mjx-msup></mjx-mrow></mjx-semantics></mjx-math><mjx-assistive-mml display="inline" unselectable="on"><math altimg="urn:x-wiley:00011541:media:aic70194:aic70194-math-0001" display="inline" location="graphic/aic70194-math-0001.png" xmlns="http://www.w3.org/1998/Math/MathML"><semantics><mrow><msup data-semantic-="" data-semantic-children="0,1" data-semantic-role="latinletter" data-semantic-speech="normal upper R squared" data-semantic-type="superscript"><mrow><mi data-semantic-="" data-semantic-annotation="clearspeak:simple" data-semantic-font="normal" data-semantic-parent="2" data-semantic-role="latinletter" data-semantic-type="identifier" mathvariant="normal">R</mi></mrow><mrow><mn data-semantic-="" data-semantic-annotation="clearspeak:simple" data-semantic-font="normal" data-semantic-parent="2" data-semantic-role="integer" data-semantic-type="number" mathvariant="normal">2</mn></mrow></msup></mrow>$$ {mathrm{R}}^2 $$</annotation></semantics></math></mjx-assistive-mml></mjx-container> of 97.86% and an <span data-altim
在这项工作中,提出了一个新的可推广的框架,用于获得动态差异降阶模型(dd - rom),该模型利用高斯过程(GPs)平衡高保真模型(HFMs)和降阶模型(ROMs)之间的差异。提出的框架包含了解决缺失的底层物理的基本标准,并且是同类中第一个在敏感性和相关性分析的指导下提供全面见解的框架,以确定必须将差异项纳入其中。该框架用于修正蒸汽甲烷重整(SMR)反应的降阶模型和高保真微动力学模型之间的动力学不匹配。验证结果表明,在平衡常数中加入差异函数后,cd - rom能够高精度地模拟微动力学模型的动态轨迹,R2 $$ {mathrm{R}}^2 $$为97.86% and an NRMSE$$ mathrm{NRMSE} $$ of 0.123, while obtaining a significant computational gain, being 104 times faster per model execution than integrating the HFM model.
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引用次数: 0
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
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