{"title":"单原子和多原子化学反应混合物的线性化玻尔兹曼碰撞算子","authors":"Niclas Bernhoff","doi":"10.1007/s10910-024-01633-5","DOIUrl":null,"url":null,"abstract":"<div><p>At higher altitudes near space shuttles moving at hypersonic speed the air is excited to high temperatures. Then not only mechanical collisions are affecting the gas flow, but also chemical reactions have an impact on such hypersonic flows. In this work we insert chemical reactions, in form of dissociations and associations, in a model for a mixture of mono- and polyatomic (non-reacting) species. More general chemical reactions, e.g., bimolecular ones, can be obtained by instant combinations of the considered reactions. Polyatomicity is here modelled by a continuous internal energy variable and the evolution of the gas is described by a Boltzmann equation. In the Chapman-Enskog process—and related half-space problems—the linearized Boltzmann collision operator plays a central role. Here we extend some important properties of the linearized operator to the considered model with chemical reactions. A compactness result, that the linearized operator can be decomposed into a sum of a positive multiplication operator—the collision frequency—and a compact integral operator, is obtained. The terms of the integral operator are shown to be (at least) uniform limits of Hilbert-Schmidt integral operators and, thereby, compact operators. Self-adjointness of the linearized operator follows as a direct consequence. Also, bounds on—including coercivity of—the collision frequency is obtained for hard sphere, as well as hard potentials with cutoff, like models. As consequence, Fredholmness as well as the domain of the linearized operator are obtained.</p></div>","PeriodicalId":648,"journal":{"name":"Journal of Mathematical Chemistry","volume":"62 8","pages":"1935 - 1964"},"PeriodicalIF":1.7000,"publicationDate":"2024-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s10910-024-01633-5.pdf","citationCount":"0","resultStr":"{\"title\":\"Linearized Boltzmann collision operator for a mixture of monatomic and polyatomic chemically reacting species\",\"authors\":\"Niclas Bernhoff\",\"doi\":\"10.1007/s10910-024-01633-5\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>At higher altitudes near space shuttles moving at hypersonic speed the air is excited to high temperatures. Then not only mechanical collisions are affecting the gas flow, but also chemical reactions have an impact on such hypersonic flows. In this work we insert chemical reactions, in form of dissociations and associations, in a model for a mixture of mono- and polyatomic (non-reacting) species. More general chemical reactions, e.g., bimolecular ones, can be obtained by instant combinations of the considered reactions. Polyatomicity is here modelled by a continuous internal energy variable and the evolution of the gas is described by a Boltzmann equation. In the Chapman-Enskog process—and related half-space problems—the linearized Boltzmann collision operator plays a central role. Here we extend some important properties of the linearized operator to the considered model with chemical reactions. A compactness result, that the linearized operator can be decomposed into a sum of a positive multiplication operator—the collision frequency—and a compact integral operator, is obtained. The terms of the integral operator are shown to be (at least) uniform limits of Hilbert-Schmidt integral operators and, thereby, compact operators. Self-adjointness of the linearized operator follows as a direct consequence. Also, bounds on—including coercivity of—the collision frequency is obtained for hard sphere, as well as hard potentials with cutoff, like models. As consequence, Fredholmness as well as the domain of the linearized operator are obtained.</p></div>\",\"PeriodicalId\":648,\"journal\":{\"name\":\"Journal of Mathematical Chemistry\",\"volume\":\"62 8\",\"pages\":\"1935 - 1964\"},\"PeriodicalIF\":1.7000,\"publicationDate\":\"2024-06-19\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://link.springer.com/content/pdf/10.1007/s10910-024-01633-5.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Mathematical Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s10910-024-01633-5\",\"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/s10910-024-01633-5","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Linearized Boltzmann collision operator for a mixture of monatomic and polyatomic chemically reacting species
At higher altitudes near space shuttles moving at hypersonic speed the air is excited to high temperatures. Then not only mechanical collisions are affecting the gas flow, but also chemical reactions have an impact on such hypersonic flows. In this work we insert chemical reactions, in form of dissociations and associations, in a model for a mixture of mono- and polyatomic (non-reacting) species. More general chemical reactions, e.g., bimolecular ones, can be obtained by instant combinations of the considered reactions. Polyatomicity is here modelled by a continuous internal energy variable and the evolution of the gas is described by a Boltzmann equation. In the Chapman-Enskog process—and related half-space problems—the linearized Boltzmann collision operator plays a central role. Here we extend some important properties of the linearized operator to the considered model with chemical reactions. A compactness result, that the linearized operator can be decomposed into a sum of a positive multiplication operator—the collision frequency—and a compact integral operator, is obtained. The terms of the integral operator are shown to be (at least) uniform limits of Hilbert-Schmidt integral operators and, thereby, compact operators. Self-adjointness of the linearized operator follows as a direct consequence. Also, bounds on—including coercivity of—the collision frequency is obtained for hard sphere, as well as hard potentials with cutoff, like models. As consequence, Fredholmness as well as the domain of the linearized operator are obtained.
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.