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Advanced Modeling of Non-equilibrium Flows using a Maximum Entropy Quadratic Formulation

机译:使用最大熵二次公式对非平衡流进行高级建模

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This paper presents a study of an advanced non-equilibrium model for state-specific chemical kinetics based on a moment method combined with an energy state grouping strategy. The paper focuses on the rovibrational chemical kinetics of the N_2(~1xΣ_g~+ )-N(~4S_u) system. Internal excitation, dissociation, recombination and energy transfer reactions, which are important processes in aerothermodynamics, are studied. The kinetic and thermodynamic data is obtained from ab-initio calculations performed at NASA Ames Research Center. Previous analysis of the population distribution revealed that the population of the low lying energy levels of nitrogen molecules strongly deviate from a Boltzmann distribution, and the non-equilibrium distribution exhibits significant curvature. By invoking the maximum entropy principle subject to a series of constraints, the logarithm of distribution function is reconstructed using quadratic functions in the internal energy space of the molecular species. The results of the numerical simulations for an ideal chemical reactor show that the quadratic model captures the excitation and dissociation profiles accurately by using only three to seven groups thereby reducing the computational costs for non-equilibrium flow simulations significantly.
机译:本文介绍了一种基于矩量法结合能态分组策略的,针对特定状态的化学动力学的高级非平衡模型的研究。本文重点研究了N_2(〜1xΣ_g〜+)-N(〜4S_u)系统的振动化学动力学。研究了内部激发,解离,重组和能量转移反应,这是空气动力学的重要过程。动力学和热力学数据是从NASA Ames研究中心进行的从头算得到的。先前对种群分布的分析表明,氮分子处于低能级水平的种群强烈偏离了玻耳兹曼分布,并且非平衡分布表现出明显的曲率。通过在一系列约束条件下调用最大熵原理,在分子内部能量空间中使用二次函数来重建分布函数的对数。理想化学反应器的数值模拟结果表明,二次模型仅使用三至七个组即可准确捕获激发和解离曲线,从而显着降低了非平衡流模拟的计算成本。

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