Department of Aerospace Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802, USA.
J Chem Phys. 2011 Mar 28;134(12):124519. doi: 10.1063/1.3569762.
In the present work, we have simulated the homogeneous condensation of carbon dioxide and ethanol using the Bhatnagar-Gross-Krook based approach. In an earlier work of Gallagher-Rogers et al. [J. Thermophys. Heat Transfer 22, 695 (2008)], it was found that it was not possible to simulate condensation experiments of Wegener et al. [Phys. Fluids 15, 1869 (1972)] using the direct simulation Monte Carlo method. Therefore, in this work, we have used the statistical Bhatnagar-Gross-Krook approach, which was found to be numerically more efficient than direct simulation Monte Carlo method in our previous studies [Kumar et al., AIAA J. 48, 1531 (2010)], to model homogeneous condensation of two small polyatomic systems, carbon dioxide and ethanol. A new weighting scheme is developed in the Bhatnagar-Gross-Krook framework to reduce the computational load associated with the study of homogeneous condensation flows. The solutions obtained by the use of the new scheme are compared with those obtained by the baseline Bhatnagar-Gross-Krook condensation model (without the species weighting scheme) for the condensing flow of carbon dioxide in the stagnation pressure range of 1-5 bars. Use of the new weighting scheme in the present work makes the simulation of homogeneous condensation of ethanol possible. We obtain good agreement between our simulated predictions for homogeneous condensation of ethanol and experiments in terms of the point of condensation onset and the distribution of mass fraction of ethanol condensed along the nozzle centerline.
在本工作中,我们使用基于 Bhatnagar-Gross-Krook 的方法模拟了二氧化碳和乙醇的均匀冷凝。在 Gallagher-Rogers 等人的早期工作[J. Thermophys. Heat Transfer 22, 695 (2008)]中,发现使用直接模拟蒙特卡罗方法无法模拟 Wegener 等人的冷凝实验[Phys. Fluids 15, 1869 (1972)]。因此,在本工作中,我们使用了统计 Bhatnagar-Gross-Krook 方法,在我们之前的研究[Kumar 等人,AIAA J. 48, 1531 (2010)]中发现该方法在数值上比直接模拟蒙特卡罗方法更有效,以模拟两个小多原子系统,二氧化碳和乙醇的均匀冷凝。在 Bhatnagar-Gross-Krook 框架中开发了一种新的加权方案,以减少与均匀冷凝流研究相关的计算负荷。新方案得到的解与基线 Bhatnagar-Gross-Krook 冷凝模型(没有物种加权方案)得到的解进行了比较,用于研究 1-5 巴停滞压力范围内二氧化碳的冷凝流。在本工作中使用新的加权方案使得模拟乙醇的均匀冷凝成为可能。我们模拟的乙醇均匀冷凝预测与实验在冷凝起始点和沿喷嘴中心线凝结的乙醇质量分数分布方面吻合良好。