Kai Bittner, Nikolaos Margaritis, Falk Schulze-Küppers, Jörg Wolters, Ghaleb Natour
{"title":"氧膜反应器中通过水分离制氢的计算流体动力学模型。","authors":"Kai Bittner, Nikolaos Margaritis, Falk Schulze-Küppers, Jörg Wolters, Ghaleb Natour","doi":"10.3390/membranes14100219","DOIUrl":null,"url":null,"abstract":"<p><p>The utilization of oxygen transport membranes enables the production of high-purity hydrogen by the thermal decomposition of water below 1000 °C. This process is based on a chemical potential gradient across the membrane, which is usually achieved by introducing a reducing gas. Computational fluid dynamics (CFD) can be used to model reactors based on this concept. In this study, a modelling approach for water splitting is presented in which oxygen transport through the membrane acts as the rate-determining process for the overall reaction. This transport step is implemented in the CFD simulation. Both gas compartments are modelled in the simulations. Hydrogen and methane are used as reducing gases. The model is validated using experimental data from the literature and compared with a simplified perfect mixing modelling approach. Although the main focus of this work is to propose an approach to implement the water splitting in CFD simulations, a simulation study was conducted to exemplify how CFD modelling can be utilized in design optimization. Simplified 2-dimensional and rotational symmetric reactor geometries were compared. This study shows that a parallel overflow of the membrane in an elongated reactor is advantageous, as this reduces the back diffusion of the reaction products, which increases the mean driving force for oxygen transport through the membrane.</p>","PeriodicalId":18410,"journal":{"name":"Membranes","volume":"14 10","pages":""},"PeriodicalIF":3.3000,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11509594/pdf/","citationCount":"0","resultStr":"{\"title\":\"Computational Fluid Dynamics Modelling of Hydrogen Production via Water Splitting in Oxygen Membrane Reactors.\",\"authors\":\"Kai Bittner, Nikolaos Margaritis, Falk Schulze-Küppers, Jörg Wolters, Ghaleb Natour\",\"doi\":\"10.3390/membranes14100219\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The utilization of oxygen transport membranes enables the production of high-purity hydrogen by the thermal decomposition of water below 1000 °C. This process is based on a chemical potential gradient across the membrane, which is usually achieved by introducing a reducing gas. Computational fluid dynamics (CFD) can be used to model reactors based on this concept. In this study, a modelling approach for water splitting is presented in which oxygen transport through the membrane acts as the rate-determining process for the overall reaction. This transport step is implemented in the CFD simulation. Both gas compartments are modelled in the simulations. Hydrogen and methane are used as reducing gases. The model is validated using experimental data from the literature and compared with a simplified perfect mixing modelling approach. Although the main focus of this work is to propose an approach to implement the water splitting in CFD simulations, a simulation study was conducted to exemplify how CFD modelling can be utilized in design optimization. Simplified 2-dimensional and rotational symmetric reactor geometries were compared. This study shows that a parallel overflow of the membrane in an elongated reactor is advantageous, as this reduces the back diffusion of the reaction products, which increases the mean driving force for oxygen transport through the membrane.</p>\",\"PeriodicalId\":18410,\"journal\":{\"name\":\"Membranes\",\"volume\":\"14 10\",\"pages\":\"\"},\"PeriodicalIF\":3.3000,\"publicationDate\":\"2024-10-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11509594/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Membranes\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.3390/membranes14100219\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Membranes","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.3390/membranes14100219","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
摘要
利用氧传输膜可在 1000 °C 以下通过水的热分解生产高纯度氢气。这一过程基于膜上的化学势梯度,通常通过引入还原气体来实现。计算流体动力学(CFD)可用于模拟基于这一概念的反应器。本研究介绍了一种水分离建模方法,其中氧气通过膜的传输是整个反应的速率决定过程。这一传输步骤是在 CFD 模拟中实现的。模拟中对两个气体室都进行了建模。氢气和甲烷被用作还原气体。利用文献中的实验数据对模型进行了验证,并与简化的完全混合建模方法进行了比较。尽管这项工作的主要重点是提出一种在 CFD 模拟中实现水分离的方法,但还是进行了一项模拟研究,以示范如何在设计优化中利用 CFD 建模。对简化的二维和旋转对称反应器几何结构进行了比较。这项研究表明,在拉长的反应器中,膜的平行溢流是有利的,因为这减少了反应产物的反向扩散,从而增加了氧通过膜传输的平均驱动力。
Computational Fluid Dynamics Modelling of Hydrogen Production via Water Splitting in Oxygen Membrane Reactors.
The utilization of oxygen transport membranes enables the production of high-purity hydrogen by the thermal decomposition of water below 1000 °C. This process is based on a chemical potential gradient across the membrane, which is usually achieved by introducing a reducing gas. Computational fluid dynamics (CFD) can be used to model reactors based on this concept. In this study, a modelling approach for water splitting is presented in which oxygen transport through the membrane acts as the rate-determining process for the overall reaction. This transport step is implemented in the CFD simulation. Both gas compartments are modelled in the simulations. Hydrogen and methane are used as reducing gases. The model is validated using experimental data from the literature and compared with a simplified perfect mixing modelling approach. Although the main focus of this work is to propose an approach to implement the water splitting in CFD simulations, a simulation study was conducted to exemplify how CFD modelling can be utilized in design optimization. Simplified 2-dimensional and rotational symmetric reactor geometries were compared. This study shows that a parallel overflow of the membrane in an elongated reactor is advantageous, as this reduces the back diffusion of the reaction products, which increases the mean driving force for oxygen transport through the membrane.
MembranesChemical Engineering-Filtration and Separation
CiteScore
6.10
自引率
16.70%
发文量
1071
审稿时长
11 weeks
期刊介绍:
Membranes (ISSN 2077-0375) is an international, peer-reviewed open access journal of separation science and technology. It publishes reviews, research articles, communications and technical notes. Our aim is to encourage scientists to publish their experimental and theoretical results in as much detail as possible. There is no restriction on the length of the papers. Full experimental and/or methodical details must be provided.