K. V. Tamil Selvi, Navnit Jha, A. Eswari, L. Rajendran
{"title":"通过旋转盘电极上的 $${{{H}}^{+}$ 和 $${{{{H}}}_{2}{{O}}$ 还原进行氢演化的数学建模:理论和数值方面的问题","authors":"K. V. Tamil Selvi, Navnit Jha, A. Eswari, L. Rajendran","doi":"10.1007/s10910-024-01675-9","DOIUrl":null,"url":null,"abstract":"<p>This paper discusses mathematical model of hydrogen evolution via <span>\\({H}^{+}\\)</span> and <span>\\({H}_{2}O\\)</span> reduction at a rotating disc electrode. Rotating disc electrodes are the preferred technology for analysing electrochemical processes in electrically powered cells and another rotating machinery, such as combustion engines, air compressors, gearboxes, and generators. The theory of nonlinear convection–diffusion equations provides the foundation for the model. In the present study, the Akbari-Ganji approach is utilised to solve, concurrently, the mass transport equations of <span>\\({H}^{+}\\)</span> and <span>\\({OH}^{-}\\)</span> in the electrolyte and on the electrode surface under steady-state circumstances. A general and simple analytical expression is obtained for the reactants' hydrogen and hydroxide ion concentrations. Additionally, numerical solutions using non-standard finite difference methods are presented, and compared with the analytical solution. The exact solution for the limiting case results is presented and examined with the general results. Furthermore, the graphs and tables that compare the theoretical and numerical solutions demonstrated the accuracy and dependability of our paradigm.</p>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"45 1","pages":""},"PeriodicalIF":1.7000,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Mathematical modeling of hydrogen evolution by $${{{H}}}^{+}$$ and $${{{H}}}_{2}{{O}}$$ reduction at a rotating disk electrode: theoretical and numerical aspects\",\"authors\":\"K. V. Tamil Selvi, Navnit Jha, A. Eswari, L. Rajendran\",\"doi\":\"10.1007/s10910-024-01675-9\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>This paper discusses mathematical model of hydrogen evolution via <span>\\\\({H}^{+}\\\\)</span> and <span>\\\\({H}_{2}O\\\\)</span> reduction at a rotating disc electrode. Rotating disc electrodes are the preferred technology for analysing electrochemical processes in electrically powered cells and another rotating machinery, such as combustion engines, air compressors, gearboxes, and generators. The theory of nonlinear convection–diffusion equations provides the foundation for the model. In the present study, the Akbari-Ganji approach is utilised to solve, concurrently, the mass transport equations of <span>\\\\({H}^{+}\\\\)</span> and <span>\\\\({OH}^{-}\\\\)</span> in the electrolyte and on the electrode surface under steady-state circumstances. A general and simple analytical expression is obtained for the reactants' hydrogen and hydroxide ion concentrations. Additionally, numerical solutions using non-standard finite difference methods are presented, and compared with the analytical solution. The exact solution for the limiting case results is presented and examined with the general results. Furthermore, the graphs and tables that compare the theoretical and numerical solutions demonstrated the accuracy and dependability of our paradigm.</p>\",\"PeriodicalId\":648,\"journal\":{\"name\":\"Journal of Mathematical Chemistry\",\"volume\":\"45 1\",\"pages\":\"\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2024-09-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Mathematical Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1007/s10910-024-01675-9\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Mathematical Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1007/s10910-024-01675-9","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Mathematical modeling of hydrogen evolution by $${{{H}}}^{+}$$ and $${{{H}}}_{2}{{O}}$$ reduction at a rotating disk electrode: theoretical and numerical aspects
This paper discusses mathematical model of hydrogen evolution via \({H}^{+}\) and \({H}_{2}O\) reduction at a rotating disc electrode. Rotating disc electrodes are the preferred technology for analysing electrochemical processes in electrically powered cells and another rotating machinery, such as combustion engines, air compressors, gearboxes, and generators. The theory of nonlinear convection–diffusion equations provides the foundation for the model. In the present study, the Akbari-Ganji approach is utilised to solve, concurrently, the mass transport equations of \({H}^{+}\) and \({OH}^{-}\) in the electrolyte and on the electrode surface under steady-state circumstances. A general and simple analytical expression is obtained for the reactants' hydrogen and hydroxide ion concentrations. Additionally, numerical solutions using non-standard finite difference methods are presented, and compared with the analytical solution. The exact solution for the limiting case results is presented and examined with the general results. Furthermore, the graphs and tables that compare the theoretical and numerical solutions demonstrated the accuracy and dependability of our paradigm.
期刊介绍:
The Journal of Mathematical Chemistry (JOMC) publishes original, chemically important mathematical results which use non-routine mathematical methodologies often unfamiliar to the usual audience of mainstream experimental and theoretical chemistry journals. Furthermore JOMC publishes papers on novel applications of more familiar mathematical techniques and analyses of chemical problems which indicate the need for new mathematical approaches.
Mathematical chemistry is a truly interdisciplinary subject, a field of rapidly growing importance. As chemistry becomes more and more amenable to mathematically rigorous study, it is likely that chemistry will also become an alert and demanding consumer of new mathematical results. The level of complexity of chemical problems is often very high, and modeling molecular behaviour and chemical reactions does require new mathematical approaches. Chemistry is witnessing an important shift in emphasis: simplistic models are no longer satisfactory, and more detailed mathematical understanding of complex chemical properties and phenomena are required. From theoretical chemistry and quantum chemistry to applied fields such as molecular modeling, drug design, molecular engineering, and the development of supramolecular structures, mathematical chemistry is an important discipline providing both explanations and predictions. JOMC has an important role in advancing chemistry to an era of detailed understanding of molecules and reactions.