{"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}
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.
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.