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Numerical Analysis Selecting Chemical Mechanism of Ammonia–Hydrogen Mixture Laminar Burning Velocity by RMSE 利用均方根误差选择氨氢混合物层流燃烧速度化学机制的数值分析
IF 2.1 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-09-16 DOI: 10.1002/ceat.202400053
Yu Ying Lu, Xinyang Li, Herbert Une Meir, Guang Yu Yang, Yu Shuan Fan, Way Lee Cheng, Wai Siong Chai
This study employs Cantera code to investigate the laminar burning velocity of different ammonia–hydrogen mixtures. Suitable models were selected from recent literature, and the one with the lowest root mean square error (RMSE) against experimental data was identified through the error function method. Bao mechanism shows an RMSE value of 4.71 at atmospheric pressure for ammonia–hydrogen mixtures, while the Otomo mechanism exhibits an RMSE of 2.11 under high-pressure conditions. Additionally, sensitivity analysis was conducted to highlight critical reactions within each mechanism, emphasizing distinctions between different pressures. This approach aims to choose the proper mechanism to reduce computational and experimental costs in the early stages of ammonia–hydrogen research.
本研究采用 Cantera 代码研究不同氨氢混合物的层流燃烧速度。研究人员从最新文献中挑选了合适的模型,并通过误差函数法确定了与实验数据相比均方根误差(RMSE)最小的模型。对于氨氢混合物,Bao 机制在常压下的均方根误差值为 4.71,而 Otomo 机制在高压条件下的均方根误差值为 2.11。此外,还进行了敏感性分析,以突出每种机理中的关键反应,强调不同压力下的区别。这种方法旨在选择适当的机理,以降低氨-氢研究早期阶段的计算和实验成本。
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引用次数: 0
A New Bubble Image Model Based on the Recognition of Bubble Flow 基于气泡流动识别的新型气泡图像模型
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-09-14 DOI: 10.1002/ceat.202400009
Prof. Guohui Li, Dr. Xue Liu, Prof. Yang Liu

In this study, a new ellipse-fitting algorithm is proposed to achieve the reconstruction of bubble shapes in bubbly flow captured by a high-speed camera in the gas–liquid two-phase column reactor. Bubble flow patterns and geometric parameters in the experimental images are recognized and identified successfully, represented by means of the topological parameters. Three logical steps are carried out in detail. First, the area threshold and the circularity factors are established to identify the bubbles whether belonging to a single bubble or not. The overlapping bubbles in images can be separated from single bubbles based on a watershed segmentation algorithm. Second, a single bubble image and an overlapping bubble image are combined into one image. After that, statistical analysis for the size distributions and ellipse area bubbles is performed for further analysis and discussion. The advantage of this algorithm is that it can make use of a set of major and minor axes of an ellipse to capture the ellipse parameters more effectively. Simulation results are well agreed with experimental measurements. Moreover, it can be used to detect many ellipse-like bubbles that are dispersed in high-speed camera images, indicating that it is a better strategy for the recognition and identification of bubbly turbulent flow accurately.

本研究提出了一种新的椭圆拟合算法,用于实现气液两相柱反应器中高速摄像机捕获的气泡流中气泡形状的重建。实验图像中的气泡流动形态和几何参数通过拓扑参数的方式被成功识别和鉴定。具体分为三个逻辑步骤。首先,建立面积阈值和圆度系数,以识别气泡是否属于单个气泡。基于分水岭分割算法,可将图像中重叠的气泡从单个气泡中分离出来。其次,将单一气泡图像和重叠气泡图像合并为一张图像。然后,对气泡的大小分布和椭圆面积进行统计分析,以便进一步分析和讨论。该算法的优点是可以利用椭圆的一组主轴和次轴来更有效地捕捉椭圆参数。仿真结果与实验测量结果十分吻合。此外,它还能用于检测高速相机图像中分散的许多椭圆形气泡,这表明它是准确识别和鉴定气泡湍流的一种较好策略。
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引用次数: 0
Evaluation of Bi‐reforming Performance of Bi‐disperse Catalyst in a Packed Bed Reactor 评估双分散催化剂在填料床反应器中的双转化性能
IF 2.1 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-09-13 DOI: 10.1002/ceat.202400276
Yaochen Zhu, Shuai Wang, Qinghong Zhang
Bi‐reforming hydrogen production has its potential in the reduction of greenhouse gas emissions. In this work, methane bi‐reforming process in a packed bed reactor using bi‐disperse catalyst particles is numerically investigated via a particle‐resolved modeling. The impacts of macropore fraction, porosity and macropore size on temperature and reaction rate distribution in the bed are evaluated. The results demonstrate that there exists a peak of the maximum temperature difference in the bed with the catalyst macropore fraction. Increasing the macropore fraction of the catalyst can weaken the non‐uniformity of coke formation in the bed. The increase in the macropore size of the catalyst particle can promote the hydrogen production, especially when the macropore size of particle is smaller.
双转化制氢在减少温室气体排放方面具有潜力。在这项研究中,通过颗粒分辨建模对使用双分散催化剂颗粒的填料床反应器中的甲烷双转化过程进行了数值研究。评估了大孔隙率、孔隙率和大孔隙尺寸对床层中温度和反应速率分布的影响。结果表明,随着催化剂大孔率的增加,床层中的最大温差会出现一个峰值。增加催化剂的大孔率可以减弱床层中焦炭形成的不均匀性。催化剂颗粒大孔尺寸的增加可促进氢气的产生,尤其是当颗粒大孔尺寸较小时。
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引用次数: 0
Modeling of Dual-Factor Drag Correction Model for Bubbly Flow under Elevated Pressure 高压力下气泡流的双因素阻力修正模型建模
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-08-29 DOI: 10.1002/ceat.202300477
Yibo Gao, Linlin Geng, Patrick G. Verdin, Ibra Fall, Ruijie Zhang, Zhongjie Tian, Desheng Zhang

A pressure correction method is proposed considering the influence of a dual factor. The applicability of a pressure correction method coupled with a drag model is discussed along with the accuracy of the simulation results obtained by such a pressure correction method. It is found that the present pressure correction method combined with the DBS (dual bubble size) drag model can accurately reflect the changing trend of gas holdup distribution with pressure. It is also established that results from this model applied to a bubble column match well with the experimental data. Finally, when compared with other pressure correction models, the proposed model shows better robustness in three-dimensional simulations and can predict radial gas holdup distributions with better accuracy.

考虑到双重因素的影响,提出了一种压力校正方法。讨论了压力校正方法与阻力模型相结合的适用性,以及这种压力校正方法所得到的模拟结果的准确性。研究发现,本压力修正方法与 DBS(双气泡尺寸)阻力模型相结合,能够准确反映气体滞留分布随压力变化的趋势。研究还证实,该模型应用于气泡柱的结果与实验数据非常吻合。最后,与其他压力校正模型相比,所提出的模型在三维模拟中表现出更好的鲁棒性,并能更准确地预测径向气体滞留分布。
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引用次数: 0
Liquid–Liquid Equilibrium with Ab Initio Molecular Dynamics Simulation and NRTL Parameter Estimation 利用 Ab Initio 分子动力学模拟和 NRTL 参数估计实现液-液平衡
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-08-28 DOI: 10.1002/ceat.202400080
Su Yeong Jeong, Byoung Chul Kim, Jeom Soo Kim, Young Han Kim

In this study, we propose a method for estimating liquid–liquid equilibrium with ab initio molecular dynamics (MD) simulation. Additionally, we determined the non-random two-liquid model parameters for the systems applicable to the extraction design using a commercial software. The minimized energy of separate liquid phases yielded equilibrium data from a more versatile procedure than the existing MD simulation. Although many experimental measurements with the parameters have been published, the parameters are not always compatible with the software. The performances are graphically illustrated for example systems including ionic liquid and deep eutectic solvent, and the results indicated that the proposed procedures of the estimation and the model parameter determination were satisfactory.

在本研究中,我们提出了一种利用原子分子动力学(MD)模拟估算液液平衡的方法。此外,我们还使用商业软件确定了适用于萃取设计的系统的非随机双液模型参数。与现有的 MD 模拟相比,最小化分离液相的能量可通过更通用的程序获得平衡数据。虽然已经公布了许多参数实验测量结果,但这些参数并不总是与软件兼容。对包括离子液体和深共晶溶剂在内的示例系统的性能进行了图表说明,结果表明所建议的估算和模型参数确定程序是令人满意的。
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引用次数: 0
Metal–Organic Frameworks as a Catalyst and Catalyst Support in Fuel Cells: From Challenges to Catalytic Application 金属有机框架作为燃料电池的催化剂和催化剂载体:从挑战到催化应用
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-08-28 DOI: 10.1002/ceat.202300580
Dr. Iswary Letchumanan, Dr. Ajaz Ahmad Wani, Dr. Norazuwana Shaari, Dr. Mahnoush Beygisangchin, Prof. Siti Kartom Kamarudin, Dr. Nabila A. Karim

The innovation of high-performance, stable electrocatalysts for clean energy systems faces significant challenges. Metal-organic frameworks (MOFs), with their porous nature, flexible structures, and homogeneous active site dispersion, have gained interest as unique precursors for carbon-based catalysts. MOFs' properties significantly enhance catalytic performance in fuel cells. This review highlights recent advancements in MOF design for oxygen electrocatalysis in fuel cells, while also discussing perspectives for future material innovations to improve catalytic activity in this emerging field.

为清洁能源系统开发高性能、稳定的电催化剂面临着巨大的挑战。金属有机框架(MOFs)具有多孔性、柔性结构和均匀的活性位点分散等特点,作为碳基催化剂的独特前驱体,已经引起了人们的兴趣。MOFs 的特性大大提高了燃料电池的催化性能。本综述重点介绍了用于燃料电池中氧电催化的 MOF 设计的最新进展,同时还讨论了未来材料创新的前景,以提高这一新兴领域的催化活性。
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引用次数: 0
Energy-Efficient Hydrogen Liquefaction Process with Ortho-Para Conversion and Boil-Off Gas Recovery 采用正原转换和沸腾气体回收技术的高能效氢液化工艺
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-08-23 DOI: 10.1002/ceat.202400150
Prof. Jian Wen, Haolin Xie, Xin Zhao, Ke Li

Hydrogen liquefaction is essential for the efficient storage and transportation of hydrogen. In the liquefaction process, catalytic ortho-para conversion is crucial to achieve a product with at least 95 % para-hydrogen to reduce boil-off losses. The proposed hydrogen liquefaction process using a catalyst-filled heat exchanger for continuous ortho-para conversion is modeled through steady-state thermal simulations in Aspen HYSYS. Additionally, an ejector is integrated to reliquefy boil-off gas. The proposed design achieves a specific energy consumption (SEC) of 10.50 kWh ()−1 and an exergy efficiency (EXE) of 30.1 %, which is 18 % lower in SEC compared to processes with separate converters. The integrated approach enhances energy utilization and offers references for future hydrogen liquefiers.

氢气液化对高效储存和运输氢气至关重要。在液化过程中,催化正副转化对于获得至少 95% 对氢产品以减少沸腾损失至关重要。通过在 Aspen HYSYS 中进行稳态热模拟,对使用催化剂填充热交换器进行连续对位转换的拟议氢液化工艺进行了建模。此外,还集成了一个喷射器来疏解沸腾气体。拟议设计的比能耗 (SEC) 为 10.50 kWh()-1,放能效率 (EXE) 为 30.1%,与使用独立转换器的工艺相比,比能耗 (SEC) 降低了 18%。这种集成方法提高了能源利用率,为未来的氢气液化器提供了参考。
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引用次数: 0
Overview Contents: Chem. Eng. Technol. 9/2024 概述 内容:Chem.Eng.Technol.9/2024
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-08-22 DOI: 10.1002/ceat.202470903
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引用次数: 0
Editorial Board: Chem. Eng. Technol. 9/2024 编辑委员会:Chem.Eng.Technol.9/2024
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-08-22 DOI: 10.1002/ceat.202470902
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引用次数: 0
Cover Picture: Chem. Eng. Technol. 9/2024 封面图片:封面图片:Chem.Eng.Technol.9/2024
IF 1.8 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2024-08-22 DOI: 10.1002/ceat.202470901

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© DifferR @AdobeStock
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Chemical Engineering & Technology
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