THE CONSTRUCTION OF MEZO-SCALE MOLECULAR COLLISION MODEL FOR NUMERICAL ANALYSIS OF RAREFIED GAS FLOWS

稀薄气体流动数值分析中观尺度分子碰撞模型的构建

• 批准号: 07555060
• 负责人: MATSUMOTO Yoichiro
• 金额: $ 9.54万
• 依托单位: University of Tokyo
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (A)
• 财政年份: 1995
• 资助国家: 日本
• 起止时间: 1995 至 1996
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-07555060/
• 关键词: Rarefield Gas; Numerical Analysis; Mezo-Scale; Molecular Collision Model; Reflection Model; Molecular Dynamics; Beam Scattering; Laser Induced Fluorescence; DSMC法; 面-分子干渉モデル; 超音速自由噴流; 回転温度分布; FTIR

1. Construction of gas-gas collision modelThe gas-gas collision model has been upgraded by expansion of the data-base, revising the potential function and changing the definition of the collision cross section. By using the model, we obtained good agreement with experimental results on shock-waves at high mach numbers and diffusion coefficient, viscosity coefficient and thermal conductivity of nitrogen. We have also done LIF experiments on free jet expansions and have obtained fair agreement with numerical results. Also, we have succeeded on developing a numerical analysis system on quantum-molecualar dynamics simulations for analysis of gas-gas collision with vibrational exciatations.2. Construction of gas-surface interaction modelMolecular dynamics simulations of the Xe/Pt (111) system has been performed for the construction of a gas-surface interaction model for monatomic gas molecules. The model divides each collision process into stages, which are the energy transfer stage, scattering direction stage and the decision stage. We have also performed simulations on the O_2/Graphite system for construction of a gas-surface interaction model for diatomic gas molecules. The couette-flow using this model has good agreement with estimated results. The UHV molecular beam scattering expierments were performed for the O_2, N_2/Graphite system.

1. 通过扩充数据库、修正势函数和改变碰撞截面的定义，对气-气碰撞模型进行了升级。利用该模型对高马赫数激波、氮气的扩散系数、黏度系数和导热系数进行了数值模拟，与实验结果吻合较好。我们还做了自由射流膨胀的LIF实验，得到了与数值结果相当一致的结果。此外，我们还成功地开发了一套用于分析具有振动激发的气体碰撞的量子分子动力学模拟数值分析系统。为建立单原子气体分子的气-表面相互作用模型，对Xe/Pt（111）体系进行了分子动力学模拟。该模型将每个碰撞过程划分为能量传递阶段、散射方向阶段和决策阶段。我们还对O_2/石墨体系进行了模拟，建立了双原子气体分子的气-表面相互作用模型。用该模型计算的库特流与估计结果吻合较好。对O_2、N_2/石墨体系进行了超高压分子束散射实验。

项目成果

H.Hashimoto: "Spectroscopic Study of Cluster Distribution in Free-Jet" ICHMT Symp.on Molecular and Micro.Heat Transfer. 1. 149-153 (1996)

H.Hashimoto：“自由射流中团簇分布的光谱研究”ICHMT Symp.on 分子和微热传递。

H.Hashimoto: "Spectroscopic Study of Cluster Distribution in Free-Jet" ICHMT Symp.on Molecular and Micro.Hear Transfer. 1. 149-153 (1996)

H.Hashimoto：“自由射流中簇分布的光谱研究”ICHMT Symp.on 分子和微听觉传输。

Nobuhiro YAMANISHI: "Molecular Dynamics Simulation of a Diatomic Gas Molecule Scattering from a Solid Surface" Thermal Science & Engineering. 3-3. 33-36 (1995)

Nobuhiro YAMANISHI：“双原子气体分子从固体表面散射的分子动力学模拟”热科学

Hirofumi HASHIMOTO: "In-situ Measurement of Clustering Process near Condensate" Thermal Science and Engineering. Vol.3. 37-43 (1995)

Hirofumi HASHIMOTO：“凝结水附近团聚过程的原位测量”热科学与工程。

中北 勝: "気体分子の散乱過程における付着分子の効果" 日本機械学会第74期全国大会講演論文集. 3. 343-344 (1996)

Masaru Nakakita：“附着分子对气体分子散射过程的影响”第 74 届日本机械工程学会全国会议论文集 3. 343-344 (1996)。