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

IF 1.7 3区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Mathematical Chemistry Pub Date : 2024-06-19 DOI:10.1007/s10910-024-01633-5
Niclas Bernhoff
{"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}
引用次数: 0

摘要

在以高超音速飞行的航天飞机附近的高空,空气被激发到很高的温度。因此,不仅机械碰撞会影响气体流动,化学反应也会对这种高超音速流动产生影响。在这项工作中,我们在单原子和多原子(非反应)物种混合物模型中加入了以解离和结合为形式的化学反应。更一般的化学反应,如双分子反应,可以通过所考虑反应的即时组合来获得。多原子性在这里用连续内能变量建模,气体的演变则用玻尔兹曼方程描述。在查普曼-恩斯科格过程和相关的半空间问题中,线性化波尔兹曼碰撞算子起着核心作用。在此,我们将线性化算子的一些重要特性扩展到所考虑的化学反应模型中。我们得到了一个紧凑性结果,即线性化算子可以分解为一个正乘法算子(碰撞频率)和一个紧凑的积分算子之和。积分算子的项被证明(至少)是希尔伯特-施密特积分算子的均匀极限,因此也是紧凑算子。线性化算子的自相接性是直接结果。此外,还得到了硬球模型和带截止的硬势垒模型的碰撞频率边界(包括碰撞频率的矫顽力)。因此,可以得到线性化算子的弗雷德和域。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
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.

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
Journal of Mathematical Chemistry
Journal of Mathematical Chemistry 化学-化学综合
CiteScore
3.70
自引率
17.60%
发文量
105
审稿时长
6 months
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.
期刊最新文献
Guest editorial for the special collection of mathematical chemistry papers Mathematical modeling of hydrogen evolution by $${{{H}}}^{+}$$ and $${{{H}}}_{2}{{O}}$$ reduction at a rotating disk electrode: theoretical and numerical aspects A first-rate fourteenth-order phase-fitting approach to solving chemical problems On the uniqueness of continuous and discrete hard models of NMR-spectra Numerical analysis of fourth-order multi-term fractional reaction-diffusion equation arises in chemical reactions
×
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
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 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 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1