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Development of Mutation~(++): MUlticomponent Thermodynamics And Transport properties for IONized gases library in C~(++)

机译:Mutation〜(++)的开发:C〜(++)中离子化气体库的多元热力学和输运性质

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The development of the Mutation~(++) library is described which has been designed to compute thermodynamic and transport properties of ionized gases including equilibrium compositions and species production rates due to finite-rate elementary reactions. Thermodynamic properties are obtained from three separate databases: the NASA 7- and 9-coefficient polynomials and a custom database which describes each atom and molecule as a rigid-rotator and harmonic oscillator. Mixture thermodynamic properties are suitably formulated from species quantities. Transport properties are derived from kinetic theory which provides relationships for macroscopic transport coefficients based on microscopic collision integrals. Finally, the chemical production rates for species based on elementary chemical reactions including third body reactions is detailed.
机译:描述了Mutation〜(++)库的开发,该库的设计目的是计算电离气体的热力学和传输性质,包括由于有限速率基本反应而引起的平衡组成和物质产生速率。可从三个单独的数据库获得热力学性质:NASA 7系数和9系数多项式以及一个自定义数据库,该数据库将每个原子和分子描述为刚性转子和谐波振荡器。混合物的热力学性质由种类数量适当地配制。输运性质是从动力学理论中得出的,该理论基于微观碰撞积分为宏观输运系数提供关系。最后,详细说明了基于基本化学反应(包括第三体反应)的物种的化学生产率。

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