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首页> 外文期刊>International Journal of Heat and Mass Transfer >Ab initio simulation of heat transfer through a mixture of rarefied gases
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Ab initio simulation of heat transfer through a mixture of rarefied gases

机译：从头开始模拟稀有气体混合物的传热

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摘要

The heat flux problem for a binary gaseous mixture confined between two parallel plates with different temperatures is studied on the basis of the direct simulation Monte Carlo method with an implementation of ab initio potential. The calculations were carried for a wide range of the gas rarefaction, for several values of the mole fraction and for two values of the temperature difference. The smaller value of the difference corresponds to the limit when the nonlinear terms are negligible, while the larger value describes a nonlinear heat transfer. The heat flux, temperature, and mole fraction distributions are presented. To study the influence of the intermolecular potential, the same simulations are carried out for the hard sphere molecular model. A relative deviation of the results based on this model from those based on the ab initio potential is analyzed. it is pointed out that the difference between the heat flux of the two potentials is about 8% and 5% for the small and large temperature differences, respectively. The temperature distribution between plates is weakly affected by the molecular potential, while the chemical composition variation is the most sensitive quantity for the considered problem. The reported results can be used as benchmark data to test model kinetic equations for gaseous mixtures.
机译：在直接模拟蒙特卡罗方法的基础上，从头算势的实现出发，研究了封闭在两个不同温度的平行板之间的二元气体混合物的热通量问题。计算是针对广泛的气体稀疏性，摩尔分数的几个值和温度差的两个值进行的。当非线性项可以忽略时，较小的差值对应于极限，而较大的值表示非线性传热。给出了热通量，温度和摩尔分数分布。为了研究分子间电势的影响，对硬球分子模型进行了相同的模拟。分析了基于该模型的结果与基于从头算电位的结果的相对偏差。需要指出的是，对于较小的和较大的温度差，两个电位的热通量之间的差分别约为8％和5％。板之间的温度分布受分子势的影响很小，而化学组成的变化是所考虑问题的最敏感量。报告的结果可用作基准数据，以测试气态混合物的模型动力学方程。

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