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

Shinichi Tsuda, Nobuhiro Yamanishi, Takashi Tokumasu, Nobuyuki Tsuboi, Yoichiro Matsumoto

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

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.

Original languageEnglish
Title of host publication47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition
Publication statusPublished - Dec 1 2009
Event47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition - Orlando, FL, United States
Duration: Jan 5 2009Jan 8 2009

Publication series

Name47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition

Other

Other47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition
CountryUnited States
CityOrlando, FL
Period1/5/091/8/09

Fingerprint

oxygen supply equipment
Thermodynamic properties
thermodynamic properties
hydrogen
Hydrogen
oxygen
Oxygen
Molecular dynamics
modeling
simulation
molecular dynamics
thrust chambers
rocket engines
jet flow
Fluids
oxidizers
fluid
fluids
temperature
thermodynamic property

All Science Journal Classification (ASJC) codes

  • Space and Planetary Science
  • Aerospace Engineering

Cite this

Tsuda, S., Yamanishi, N., Tokumasu, T., Tsuboi, N., & Matsumoto, Y. (2009). A modeling of thermal properties of hydrogen/oxygen system using molecular simulations. In 47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition [2009-1601] (47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition).

A modeling of thermal properties of hydrogen/oxygen system using molecular simulations. / Tsuda, Shinichi; Yamanishi, Nobuhiro; Tokumasu, Takashi; Tsuboi, Nobuyuki; Matsumoto, Yoichiro.

47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition. 2009. 2009-1601 (47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Tsuda, S, Yamanishi, N, Tokumasu, T, Tsuboi, N & Matsumoto, Y 2009, A modeling of thermal properties of hydrogen/oxygen system using molecular simulations. in 47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition., 2009-1601, 47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition, 47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition, Orlando, FL, United States, 1/5/09.
Tsuda S, Yamanishi N, Tokumasu T, Tsuboi N, Matsumoto Y. A modeling of thermal properties of hydrogen/oxygen system using molecular simulations. In 47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition. 2009. 2009-1601. (47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition).
Tsuda, Shinichi ; Yamanishi, Nobuhiro ; Tokumasu, Takashi ; Tsuboi, Nobuyuki ; Matsumoto, Yoichiro. / A modeling of thermal properties of hydrogen/oxygen system using molecular simulations. 47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition. 2009. (47th AIAA Aerospace Sciences Meeting including the New Horizons Forum and Aerospace Exposition).
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