A modeling of thermal properties of hydrogen/oxygen system using molecular simulations

Shin Ichi Tsuda, Nobuhiro Yamanishi, Takashi Tokumasu, Nobuyuki Tsuboi, Yoichiro Matsumoto

研究成果: Conference contribution

2 被引用数 (Scopus)

抄録

We have calculated some thermal properties of hydrogen and of oxygen using a classical molecular dynamics (MD) method. To examine the applicability of a simplified intermolecular interaction model, we employed the Lennard-Jones (12-6) potential with ignoring the rotational freedom in both fluids and conducted MD simulations for the Lennard-Jones fluid at a wide density-temperature range. Using the MD calculation data, we made a polynomial function of Helmholtz free energy, which can derive every thermal property, and determined the potential parameters of the Lennard-Jones model which reproduce the thermal properties of hydrogen and of oxygen. In spite of the very simple intermolecular interaction model, we found that it can reproduce the thermodynamic properties of oxygen at a wide density-temperature range and the pressure-volume-temperature relationship of hydrogen below its critical density. Such simple model has a potential to estimate reasonably an equation of state of hydrogen/oxygen mixture or the interfacial tension which is very important in the analyses of the coaxial injection jet flows of oxidizer with gaseous hydrogen in a rocket engine thrust chamber.

本文言語English
ホスト出版物のタイトル47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition
出版ステータスPublished - 2009 12月 1
イベント47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Orlando, FL
継続期間: 2009 1月 52009 1月 8

Other

Other47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition
CityOrlando, FL
Period09/1/509/1/8

ASJC Scopus subject areas

  • 宇宙惑星科学
  • 航空宇宙工学

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