Three-dimensional multiphysics coupling numerical simulation of a proton conductor solid oxide fuel cell based on multi-defect transport
文献情報
Qiangqiang Li, Xiaoxia Sun, Lili Shen, Guojun Li
The conductivity of the electrolyte of a proton conductor solid oxide fuel cell is not only related to temperature, but also related to the humidity and oxygen partial pressure of the cathode and anode. The gas partial pressure and temperature of the cell have significant inhomogeneity in three-dimensional space, so it is extremely important to develop a multi-field coupled three-dimensional model to explore the electrochemical performance of the cell. In this study, a model is constructed that takes into account macroscopic heat and mass transfer, microscopic defect transport, and the reaction kinetics of defects. The results show that for thin cathodes, the ribs significantly affect the oxygen partial pressure and the concentration of defects on the cathode side. On both sides of the electrolyte membrane, the concentration of hydroxide ions increases with increasing gas humidity. The hydroxide ion concentration increases along the flow direction, but the concentration of O-site small polarons increases on the anode side and decreases on the cathode side. The conductivity of hydroxide ions is more sensitive to the humidity of the anode side, while the conductivity of O-site small polarons is more sensitive to the humidity of the cathode side. Increasing the humidity of the cathode side results in a significant decrease in the conductivity of the O-site small polarons. The contribution of the conductivity of oxygen vacancies to the total conductivity is negligible. The total conductivity on the cathode side is greater than that on the anode side; it is dominated by hydroxide ions on the anode side, and co-dominated by hydroxide ions and O-site small polarons on the cathode side. Increasing temperature significantly increases both partial and total conductivity. When hydrogen depletion occurs, the partial conductivities and the total conductivity exhibit a sharp increase downstream of the cell.
おすすめジャーナル

Proceedings of the National Academy of Sciences of the United States of America

Russian Chemical Reviews

Fibre Chemistry

Nature

Science

Israel Journal of Chemistry

Pure and Applied Chemistry

Journal of Heterocyclic Chemistry

European Journal of Wood and Wood Products

Organic Preparations and Procedures International
関連文献
Conformational disorder and solvation properties of the key-residues of a protein in water–ethanol mixed solutions
Dayanidhi Mohanta, Santanu Santra, Madhurima Jana
DOI: 10.1039/C7CP06022J
Polysulfide intercalation in bilayer-structured graphitic C3N4: a first-principles study
Sinan Li, Shaobin Yang, Ding Shen, Wen Sun, Xueying Shan, Wei Dong, Yuehui Chen, Xu Zhang, Yongqiang Mao, Shuwei Tang
DOI: 10.1039/C7CP05334G
Thermally reversible nanoparticle gels with tuneable porosity showing structural colour
P. Cloetens, T. O’Neill, C. P. Grey, E. Eiser
DOI: 10.1039/C7CP04835A
The effect of structural modifications on the thermal stability, melting points and ion interactions for a series of tetraaryl-phosphonium-based mesothermal ionic liquids‡
Cody A. Cassity, Benjamin Siu, Mohammad Soltani, Jimmy L. McGeehee, Katie J. Strickland, Matt Vo, E. Alan Salter, Alexandra C. Stenson, Andrzej Wierzbicki, Kevin N. West, Brooks D. Rabideau, James H. Davis, Jr.
DOI: 10.1039/C7CP06278H
Nitrate-assisted photocatalytic efficiency of defective Eu-doped Pr(OH)3 nanostructures
S. Aškrabić, V. D. Araújo, M. Passacantando, M. I. B. Bernardi, N. Tomić, B. Dojčinović, D. Manojlović, B. Čalija, M. Miletić, Z. D. Dohčević-Mitrović
DOI: 10.1039/C7CP06440C
Protonation of N2O and NO2 in a solid phase
Irina V. Stoyanova
DOI: 10.1039/C7CP04474G
Decreased domain size of p-DTS(FBTTh2)2/P(NDI2OD-T2) blend films due to their different solution aggregation behavior at different temperatures
Ke Zhou, Qiaoqiao Zhao, Rui Zhang, Xinxiu Cao, Xinhong Yu, Jiangang Liu, Yanchun Han
DOI: 10.1039/C7CP07084E
The promoting effect of tetravalent cerium on the oxygen evolution activity of copper oxide catalysts
Zhu Chen, Coleman X. Kronawitter, Xiaofang Yang, Yao-wen Yeh, Nan Yao, Bruce E. Koel
DOI: 10.1039/C7CP05248K
Ultrafast dynamics of ionic liquids in colloidal dispersion
Zhe Ren, Jordan Kelly, C. Prasad Gunathilaka, Thomas Brinzer, Samrat Dutta, Clinton A. Johnson, Sunayana Mitra, Sean Garrett-Roe
DOI: 10.1039/C7CP04441K
Theoretical aspects of femtosecond double-pump single-molecule spectroscopy. I. Weak-field regime
Elisa Palacino-González, Maxim F. Gelin, Wolfgang Domcke
DOI: 10.1039/C7CP04809B
こちらもおすすめ
S-(甲硅烷基丙基)異硫酰氯を取り扱う際の実験室安全事項は何ですか?
取り扱う際にはPPE(防護具)が必要です。特に手袋と面マスクは必須です。ドラフトチャンバーを使用して漏洩処理を行い、温度は常温、湿度は乾燥状態、容器はガラス容器...
8-硝基-咪唑并[1,2-a]吡啶とは何ですか?
8-硝基-咪唑并[1,2-a]吡啶は、CAS番号52310-46-0の化合物で、8-位に硝基を有する咪唑並みの结构をもつ吡啶の化合物です。この化合物は、酸化還元...
4-ブロモ-5-メトキシピリジン-2-甲醇の代替品はありますか?
4-ブロモ-5-メトキシピリジン-2-甲醇の代替品には、類似構造を持つ化合物や機能性に等しい代替試薬があります。例えば、4-クロロ-5-メトキシピリジン-2-甲...
全氟-1,2-二甲基環己烷を含む廃棄物はどのように処理すべきですか?
全氟-1,2-二甲基環己烷(CAS番号:306-98-9)の廃棄物は、特別な処理が必要です。まず、廃棄物を密閉容器に収集し、適切な防漏容器に保管します。次に、専...
3-(溴甲基)苯乙酸の主な用途は何ですか?
3-(溴甲基)苯乙酸は主に研究用化学薬品として利用され、有機合成や医薬品の開発に用いられます。また、特定の化合物の合成中間体としても使用されることがあります。
5-イドキド-4-メチオキシ-6-メチルピリミジニン-2-アミンはどのように保存すればよいですか?
5-イドキド-4-メチオキシ-6-メチルピリミジニン-2-アミンは冷暗所で密栓の容器に保存し、直射日光を避けて保管することをお勧めします。温度は常温とし、湿気を...
1-(2-溴-6-甲氧基苯基)乙酮を取り扱う際の実験室安全事項は何ですか?
実験室では、1-(2- Bromo-6-methoxyphenyl)ethanoneを取り扱う際には、ゴーグルや面具、手袋などのPPEを使用することが推奨されま...
5-(4,4,5,5-テトラメチル-1,3,2-ダイオキサボラロール-2-イル)-1,3-ジヒドロ-2-ベンゾフランは安全ですか?
5-(4,4,5,5-テトラメチル-1,3,2-ダイオキサボラロール-2-イル)-1,3-ジヒドロ-2-ベンゾフランは一般に安全ですが、取扱いには注意が必要です...
4-溴萘-1-甲酸の代替品はありますか?
4-溴萘-1-甲酸は比較的稀な化合物ですが、類似物としては、4-クロロ-1-ナフホリック酸やその他のブロモ置換ナフホリック酸が挙げられます。ただし、これらの代替...
ε-白藜芦醇脱氢二聚体の代替品はありますか?
ε-白藜芦醇脱氢二聚体の代替品としては、ε-白藜芦醇、ポリフェノール類、フラボノイド類が挙げられます。これらは類似の化学構造と生物学的活性を持っています。ただし...
掲載誌
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.




