Henrique Antonio Mendonça Faria, Jorge Manuel Vieira Capela, Fabio Roberto Chavarette
{"title":"稳定化学反应模型混沌行为的最优线性控制仿真","authors":"Henrique Antonio Mendonça Faria, Jorge Manuel Vieira Capela, Fabio Roberto Chavarette","doi":"10.1007/s10910-025-01723-y","DOIUrl":null,"url":null,"abstract":"<div><p>Complex dynamical systems, such as multicomponent chemical reactions, can exhibit chaotic behaviour, posing challenges for process control and optimisation. The pursuit of effective control methodologies to stabilise chaotic reaction systems constitutes a broad field of research and application. This study proposes the application of optimal linear control to mitigate chaotic behaviour in a model of four-component chemical reactions within a continuous stirred-tank reactor (CSTR). The methodology involves representing the reaction system through differential equations and minimising the Hamilton–Jacobi-Bellman functional equation via a linear feedback controller based on a Lyapunov function. Numerical simulations validate the methodology’s efficacy, demonstrating the controller’s capacity to transition the system of equations from a chaotic state to a stable periodic regime. The results highlight the potential of optimal linear control for optimising the model of complex chemical processes, thereby opening possibilities for technological applications in specific scenarios. Optimal linear control has proven effective in stabilising the model of the reaction system, presenting itself as a promising tool for the design of industrial processes involving continuous flow reactors. In these reactors, precise control of concentrations is crucial to ensure process quality and safety.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"63 6","pages":"1447 - 1460"},"PeriodicalIF":1.7000,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Simulation of optimal linear control for stabilizing chaotic behavior in a chemical reaction model\",\"authors\":\"Henrique Antonio Mendonça Faria, Jorge Manuel Vieira Capela, Fabio Roberto Chavarette\",\"doi\":\"10.1007/s10910-025-01723-y\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Complex dynamical systems, such as multicomponent chemical reactions, can exhibit chaotic behaviour, posing challenges for process control and optimisation. The pursuit of effective control methodologies to stabilise chaotic reaction systems constitutes a broad field of research and application. This study proposes the application of optimal linear control to mitigate chaotic behaviour in a model of four-component chemical reactions within a continuous stirred-tank reactor (CSTR). The methodology involves representing the reaction system through differential equations and minimising the Hamilton–Jacobi-Bellman functional equation via a linear feedback controller based on a Lyapunov function. Numerical simulations validate the methodology’s efficacy, demonstrating the controller’s capacity to transition the system of equations from a chaotic state to a stable periodic regime. The results highlight the potential of optimal linear control for optimising the model of complex chemical processes, thereby opening possibilities for technological applications in specific scenarios. Optimal linear control has proven effective in stabilising the model of the reaction system, presenting itself as a promising tool for the design of industrial processes involving continuous flow reactors. In these reactors, precise control of concentrations is crucial to ensure process quality and safety.</p></div>\",\"PeriodicalId\":648,\"journal\":{\"name\":\"Journal of Mathematical Chemistry\",\"volume\":\"63 6\",\"pages\":\"1447 - 1460\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2025-04-16\",\"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://link.springer.com/article/10.1007/s10910-025-01723-y\",\"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://link.springer.com/article/10.1007/s10910-025-01723-y","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Simulation of optimal linear control for stabilizing chaotic behavior in a chemical reaction model
Complex dynamical systems, such as multicomponent chemical reactions, can exhibit chaotic behaviour, posing challenges for process control and optimisation. The pursuit of effective control methodologies to stabilise chaotic reaction systems constitutes a broad field of research and application. This study proposes the application of optimal linear control to mitigate chaotic behaviour in a model of four-component chemical reactions within a continuous stirred-tank reactor (CSTR). The methodology involves representing the reaction system through differential equations and minimising the Hamilton–Jacobi-Bellman functional equation via a linear feedback controller based on a Lyapunov function. Numerical simulations validate the methodology’s efficacy, demonstrating the controller’s capacity to transition the system of equations from a chaotic state to a stable periodic regime. The results highlight the potential of optimal linear control for optimising the model of complex chemical processes, thereby opening possibilities for technological applications in specific scenarios. Optimal linear control has proven effective in stabilising the model of the reaction system, presenting itself as a promising tool for the design of industrial processes involving continuous flow reactors. In these reactors, precise control of concentrations is crucial to ensure process quality and safety.
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.