动力学和宏观水平上的多元气体模拟

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Accounts of Chemical Research Pub Date : 2021-01-01 DOI:10.3934/KRM.2021013
Vladimir Djordjić, Applied, M. Pavić-Čolić, Nikola Spasojević
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引用次数: 10

摘要

本文考虑了描述多原子气体在两种不同环境下的连续型动力学模型,这些环境对应于用于定义宏观量的不同泛函空间的选择。这种模型引入了一个单一的连续变量,用来捕捉与多原子分子更复杂的结构有关的所有现象。特别是,我们提供了这两种设置的直接比较,并在重新缩放分布函数和重新制定截面后显示了它们的等效性。然后重点讨论了最近在空间齐次情况下得到严格存在唯一性结果的动力学模型。利用该分析提出的横截面,结合最大熵原理,建立了6场和14场的宏观模型。在六个矩的情况下,我们计算了精确的非线性产生项,并证明了它与扩展热力学完全一致。此外,对于14矩模型,我们提供了线性化设置下弛豫时间和输运系数的新表达式,该表达式既与剪切粘度随温度变化的实验数据相匹配,也与普朗特数的理论值相吻合。
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Polytropic gas modelling at kinetic and macroscopic levels
In this paper, we consider the kinetic model of continuous type describing a polyatomic gas in two different settings corresponding to a different choice of the functional space used to define macroscopic quantities. Such a model introduces a single continuous variable supposed to capture all the phenomena related to the more complex structure of a polyatomic molecule. In particular, we provide a direct comparison of these two settings, and show their equivalence after the distribution function is rescaled and the cross section is reformulated. We then focus on the kinetic model for which the rigorous existence and uniqueness result in the space homogeneous case is recently proven. Using the cross section proposed in that analysis together with the maximum entropy principle, we establish macroscopic models of six and fourteen fields. In the case of six moments, we calculate the exact, nonlinear, production term and prove its total agreement with extended thermodynamics. Moreover, for the fourteen moments model, we provide new expressions for relaxation times and transport coefficients in a linearized setting, that yield both matching with the experimental data for dependence of the shear viscosity upon temperature and a satisfactory agreement with the theoretical value of the Prandtl number.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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