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Variable Sphere Molecular Model in the Monte Carlo Simulation of Rarefied Gas Flow

机译:稀土气流蒙特卡罗模拟中的可变球体分子模型

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The variable sphere (VS) molecular model is introduced to Monte Carlo simulation of rarefied gas flow. The VS model provides the consistency for diffusion and viscosity cross-sections with those of any realistic intermolecular potential. The VS model has a much simpler scattering law than either the variable hard sphere (VHS) or variable soft sphere (VSS) models; also, it has the same computational efficiency as the VHS and VSS models. In this study, VS model is applied to the inverse power law (IPL) and Lennard-Jones (LJ) potentials. Comparative simulations between the VS mode, IPL and LJ potentials are made for the molecular diffusion in a homogeneous heat-bath gas, normal shock wave structure in a monatomic gas, and normal shock wave structure in binary gas mixture. The good agreement is shown in the molecular diffusion and shock wave structure between the VS model and the IPL and LJ potentials. The VS model is applied to the statistical inelastic cross-section (SICS) model for the rotational inelastic collision of the diatomic molecule. Comparative simulation between the VS model with the SICS (VS-SICS) model and VSS model with SICS (VSS-SICS) model is made for rotational relaxation in a nitrogen normal shock wave. The agreement in the shock wave structure and rotational energy distribution function across the shock wave between the VS-SICS model and the VSS-SICS model are good. It is shown that the macroscopic transport phenomena are affected by the diffusion and viscosity cross-sections rather than the scattering law of the each molecular collision.
机译:将可变球体(VS)分子模型引入稀污气流的蒙特卡罗模拟。 VS模型提供了与任何现实分子间潜力的扩散和粘度横截面的一致性。 VS模型具有比可变硬球(VHS)或可变软领域(VSS)模型更简单的散射法;此外,它具有与VHS和VSS模型相同的计算效率。在本研究中,VS模型应用于逆动力法(IPL)和Lennard-Jones(LJ)电位。对VS模式,IPL和LJ电位之间的比较模拟用于均匀加热浴气体中的分子扩散,在单批气体中的正常冲击波结构和二元气体混合物中的正常冲击波结构。在VS模型和IPL和LJ电位之间的分子扩散和冲击波结构中显示了良好的一致性。 VS模型应用于抗原子分子旋转非弹性碰撞的统计非弹性截面(SICS)模型。与SICS(VS-SICS)模型与带有SICS(VSS-SICS)模型的VS模型与VSS模型之间的比较模拟,用于氮气正常冲击波中的旋转松弛。在VS-SICS模型与VSS-SICS模型之间的冲击波冲击波结构和旋转能量分布函数的协议很好。结果表明,宏观传输现象受到扩散和粘度横截面的影响,而不是每个分子碰撞的散射法。

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