Yu Ying Lu, Xinyang Li, Herbert Une Meir, Guang Yu Yang, Yu Shuan Fan, Way Lee Cheng, Wai Siong Chai
{"title":"Numerical Analysis Selecting Chemical Mechanism of Ammonia–Hydrogen Mixture Laminar Burning Velocity by RMSE","authors":"Yu Ying Lu, Xinyang Li, Herbert Une Meir, Guang Yu Yang, Yu Shuan Fan, Way Lee Cheng, Wai Siong Chai","doi":"10.1002/ceat.202400053","DOIUrl":"https://doi.org/10.1002/ceat.202400053","url":null,"abstract":"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.","PeriodicalId":10083,"journal":{"name":"Chemical Engineering & Technology","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-09-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A New Bubble Image Model Based on the Recognition of Bubble Flow","authors":"Prof. Guohui Li, Dr. Xue Liu, Prof. Yang Liu","doi":"10.1002/ceat.202400009","DOIUrl":"10.1002/ceat.202400009","url":null,"abstract":"<p>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.</p>","PeriodicalId":10083,"journal":{"name":"Chemical Engineering & Technology","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255805","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Evaluation of Bi‐reforming Performance of Bi‐disperse Catalyst in a Packed Bed Reactor","authors":"Yaochen Zhu, Shuai Wang, Qinghong Zhang","doi":"10.1002/ceat.202400276","DOIUrl":"https://doi.org/10.1002/ceat.202400276","url":null,"abstract":"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.","PeriodicalId":10083,"journal":{"name":"Chemical Engineering & Technology","volume":null,"pages":null},"PeriodicalIF":2.1,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142255806","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yibo Gao, Linlin Geng, Patrick G. Verdin, Ibra Fall, Ruijie Zhang, Zhongjie Tian, Desheng Zhang
{"title":"Modeling of Dual-Factor Drag Correction Model for Bubbly Flow under Elevated Pressure","authors":"Yibo Gao, Linlin Geng, Patrick G. Verdin, Ibra Fall, Ruijie Zhang, Zhongjie Tian, Desheng Zhang","doi":"10.1002/ceat.202300477","DOIUrl":"10.1002/ceat.202300477","url":null,"abstract":"<p>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.</p>","PeriodicalId":10083,"journal":{"name":"Chemical Engineering & Technology","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Su Yeong Jeong, Byoung Chul Kim, Jeom Soo Kim, Young Han Kim
{"title":"Liquid–Liquid Equilibrium with Ab Initio Molecular Dynamics Simulation and NRTL Parameter Estimation","authors":"Su Yeong Jeong, Byoung Chul Kim, Jeom Soo Kim, Young Han Kim","doi":"10.1002/ceat.202400080","DOIUrl":"10.1002/ceat.202400080","url":null,"abstract":"<div>\u0000 \u0000 <p>In this study, we propose a method for estimating liquid–liquid equilibrium with <i>ab initio</i> 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.</p>\u0000 </div>","PeriodicalId":10083,"journal":{"name":"Chemical Engineering & Technology","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193708","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dr. Iswary Letchumanan, Dr. Ajaz Ahmad Wani, Dr. Norazuwana Shaari, Dr. Mahnoush Beygisangchin, Prof. Siti Kartom Kamarudin, Dr. Nabila A. Karim
{"title":"Metal–Organic Frameworks as a Catalyst and Catalyst Support in Fuel Cells: From Challenges to Catalytic Application","authors":"Dr. Iswary Letchumanan, Dr. Ajaz Ahmad Wani, Dr. Norazuwana Shaari, Dr. Mahnoush Beygisangchin, Prof. Siti Kartom Kamarudin, Dr. Nabila A. Karim","doi":"10.1002/ceat.202300580","DOIUrl":"10.1002/ceat.202300580","url":null,"abstract":"<p>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.</p>","PeriodicalId":10083,"journal":{"name":"Chemical Engineering & Technology","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Energy-Efficient Hydrogen Liquefaction Process with Ortho-Para Conversion and Boil-Off Gas Recovery","authors":"Prof. Jian Wen, Haolin Xie, Xin Zhao, Ke Li","doi":"10.1002/ceat.202400150","DOIUrl":"10.1002/ceat.202400150","url":null,"abstract":"<p>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 (<span></span><math></math>)<sup>−1</sup> 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.</p>","PeriodicalId":10083,"journal":{"name":"Chemical Engineering & Technology","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-08-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142193709","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}