含氢络合物形成和分解条件下氢在有杂质和结构陷阱介质中扩散的数学建模

IF 8.1 2区 工程技术 Q1 CHEMISTRY, PHYSICAL
A.V. Zvyagintseva
{"title":"含氢络合物形成和分解条件下氢在有杂质和结构陷阱介质中扩散的数学建模","authors":"A.V. Zvyagintseva","doi":"10.1016/j.ijhydene.2024.12.047","DOIUrl":null,"url":null,"abstract":"<div><div>The process of creating a physical and mathematical model of the hydrogen permeability of a hollow cylinder, depending on the level, sign and nature of the distribution of internal stresses on the example of electrochemical alloys synthesized by electrolysis, is shown. For the concentration fields of hydrogen atoms, the corresponding analytical dependences are used, which are the basis for mathematical modeling of diffusion processes and demonstrate the possibility of controlling the hydrogen permeability of metals. It is shown that the hydrogen permeability of a hollow cylinder primarily depends on the level and nature of the distribution of internal stresses (tensile and compressive). Internal stresses with a logarithmic dependence on coordinates have a single mathematical description, and the use of the principle of superposition allows you to display a picture of the joint interactions of the fields of internal stresses of various origins. The mathematical interpretation of internal stresses in crystals is reduced to the introduction of some dimensionless parameters, which are easily calculated and algebraically summed. This allows the model to demonstrate the possibility of parametric control of internal stresses in alloys. The mathematical model of the diffusion process for a medium with the formation and decay of immovable metal-impurity-hydrogen complexes is presented taking into account the probabilities of their formation and decay.</div></div>","PeriodicalId":337,"journal":{"name":"International Journal of Hydrogen Energy","volume":"101 ","pages":"Pages 112-119"},"PeriodicalIF":8.1000,"publicationDate":"2025-02-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mathematical modeling of hydrogen diffusion in a medium with impurity and structural traps in the conditions of the formation and decomposition of hydrogen-containing complexes\",\"authors\":\"A.V. Zvyagintseva\",\"doi\":\"10.1016/j.ijhydene.2024.12.047\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>The process of creating a physical and mathematical model of the hydrogen permeability of a hollow cylinder, depending on the level, sign and nature of the distribution of internal stresses on the example of electrochemical alloys synthesized by electrolysis, is shown. For the concentration fields of hydrogen atoms, the corresponding analytical dependences are used, which are the basis for mathematical modeling of diffusion processes and demonstrate the possibility of controlling the hydrogen permeability of metals. It is shown that the hydrogen permeability of a hollow cylinder primarily depends on the level and nature of the distribution of internal stresses (tensile and compressive). Internal stresses with a logarithmic dependence on coordinates have a single mathematical description, and the use of the principle of superposition allows you to display a picture of the joint interactions of the fields of internal stresses of various origins. The mathematical interpretation of internal stresses in crystals is reduced to the introduction of some dimensionless parameters, which are easily calculated and algebraically summed. This allows the model to demonstrate the possibility of parametric control of internal stresses in alloys. The mathematical model of the diffusion process for a medium with the formation and decay of immovable metal-impurity-hydrogen complexes is presented taking into account the probabilities of their formation and decay.</div></div>\",\"PeriodicalId\":337,\"journal\":{\"name\":\"International Journal of Hydrogen Energy\",\"volume\":\"101 \",\"pages\":\"Pages 112-119\"},\"PeriodicalIF\":8.1000,\"publicationDate\":\"2025-02-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Hydrogen Energy\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S036031992405242X\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Hydrogen Energy","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S036031992405242X","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0

摘要

以电解合成的电化学合金为例,展示了根据内应力分布的水平、符号和性质建立空心圆柱体氢渗透性物理和数学模型的过程。对于氢原子的浓度场,使用了相应的分析依赖关系,这是建立扩散过程数学模型的基础,并证明了控制金属氢渗透性的可能性。研究表明,空心圆柱体的氢渗透性主要取决于内应力(拉应力和压应力)分布的水平和性质。与坐标成对数关系的内应力具有单一的数学描述,利用叠加原理可以显示不同来源的内应力场的共同相互作用。晶体内应力的数学解释简化为引入一些无量纲参数,这些参数易于计算和代数求和。因此,该模型可以证明对合金中的内应力进行参数控制的可能性。考虑到不可移动的金属-杂质-氢复合物形成和衰变的概率,提出了介质扩散过程的数学模型。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mathematical modeling of hydrogen diffusion in a medium with impurity and structural traps in the conditions of the formation and decomposition of hydrogen-containing complexes
The process of creating a physical and mathematical model of the hydrogen permeability of a hollow cylinder, depending on the level, sign and nature of the distribution of internal stresses on the example of electrochemical alloys synthesized by electrolysis, is shown. For the concentration fields of hydrogen atoms, the corresponding analytical dependences are used, which are the basis for mathematical modeling of diffusion processes and demonstrate the possibility of controlling the hydrogen permeability of metals. It is shown that the hydrogen permeability of a hollow cylinder primarily depends on the level and nature of the distribution of internal stresses (tensile and compressive). Internal stresses with a logarithmic dependence on coordinates have a single mathematical description, and the use of the principle of superposition allows you to display a picture of the joint interactions of the fields of internal stresses of various origins. The mathematical interpretation of internal stresses in crystals is reduced to the introduction of some dimensionless parameters, which are easily calculated and algebraically summed. This allows the model to demonstrate the possibility of parametric control of internal stresses in alloys. The mathematical model of the diffusion process for a medium with the formation and decay of immovable metal-impurity-hydrogen complexes is presented taking into account the probabilities of their formation and decay.
求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
来源期刊
International Journal of Hydrogen Energy
International Journal of Hydrogen Energy 工程技术-环境科学
CiteScore
13.50
自引率
25.00%
发文量
3502
审稿时长
60 days
期刊介绍: The objective of the International Journal of Hydrogen Energy is to facilitate the exchange of new ideas, technological advancements, and research findings in the field of Hydrogen Energy among scientists and engineers worldwide. This journal showcases original research, both analytical and experimental, covering various aspects of Hydrogen Energy. These include production, storage, transmission, utilization, enabling technologies, environmental impact, economic considerations, and global perspectives on hydrogen and its carriers such as NH3, CH4, alcohols, etc. The utilization aspect encompasses various methods such as thermochemical (combustion), photochemical, electrochemical (fuel cells), and nuclear conversion of hydrogen, hydrogen isotopes, and hydrogen carriers into thermal, mechanical, and electrical energies. The applications of these energies can be found in transportation (including aerospace), industrial, commercial, and residential sectors.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信