首页> 外文期刊>The Astrophysical journal >ATMOSPHERIC CHEMISTRY FOR ASTROPHYSICISTS: A SELF-CONSISTENT FORMALISM AND ANALYTICAL SOLUTIONS FOR ARBITRARY C/O
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ATMOSPHERIC CHEMISTRY FOR ASTROPHYSICISTS: A SELF-CONSISTENT FORMALISM AND ANALYTICAL SOLUTIONS FOR ARBITRARY C/O

机译:天体化学的大气化学性质:任意C / O的自洽形式和解析解

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We present a self-consistent formalism for computing and understanding the atmospheric chemistry of exoplanets from the viewpoint of an astrophysicist. Starting from the first law of thermodynamics, we demonstrate that the van't Hoff equation (which describes the equilibrium constant), Arrhenius equation (which describes the rate coefficients), and procedures associated with the Gibbs free energy (minimization, rescaling) have a common physical and mathematical origin. We address an ambiguity associated with the equilibrium constant, which is used to relate the forward and reverse rate coefficients, and restate its two definitions. By necessity, one of the equilibrium constants must be dimensionless and equate to an exponential function involving the Gibbs free energy, while the other is a ratio of rate coefficients and must therefore possess physical units. We demonstrate that the Arrhenius equation takes on a functional form that is more general than previously stated without recourse to tagging on ad hoc functional forms. Finally, we derive analytical models of chemical systems, in equilibrium, with carbon, hydrogen, and oxygen. We include acetylene and are able to reproduce several key trends, versus temperature and carbon-to-oxygen ratio, published in the literature. The rich variety of behavior that mixing ratios exhibit as a function of the carbon-to-oxygen ratio is merely the outcome of stoichiometric book-keeping and not the direct consequence of temperature or pressure variations.
机译:我们提出了一个自洽的形式主义,用于从天体物理学家的角度来计算和理解系外行星的大气化学。从热力学第一定律开始,我们证明了van't Hoff方程(描述了平衡常数),Arrhenius方程(描述了速率系数)以及与吉布斯自由能有关的过程(最小化,重新定标)具有一个常见的物理和数学起源。我们解决了与平衡常数相关的歧义,该歧义用于关联正向和反向速率系数,并重述其两个定义。必要时,其中一个平衡常数必须是无量纲的,并且等于包含吉布斯自由能的指数函数,而另一个则是比率系数的比率,因此必须具有物理单位。我们证明了Arrhenius方程采用的功能形式比以前陈述的更为笼统,而无需依靠临时功能形式的标记。最后,我们导出了具有碳,氢和氧的化学系统的平衡分析模型。我们包括乙炔,并能够再现一些主要趋势,这些趋势与温度和碳氧比有关,已在文献中发表。混合比随碳氧比的变化而表现出的丰富特性仅仅是化学计量簿记的结果,而不是温度或压力变化的直接结果。

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