Investigation of Thermal Conductivity of Diatomic Liquid by Molecular Dynamics Method

Takashi Tokumasu, Taku Ohara, Kenjiro Kamijo

Research output: Contribution to journalArticlepeer-review

1 Citation (Scopus)


In this paper the effect of molecular structure on thermal conductivity of diatomic liquid is analyzed by the Molecular Dynamics (MD) Method. Five liquids such as O2, CO, CS2, Cl2 and Br2 are assumed and 2 center Lennard-Jones (2 CLJ) potential is used for these molecules. First, simulations are performed at various combinations of density and temperature and Equation of State (EOS) of each liquid is obtained by using these results. Using the equations critical temperature and density of each liquid is obtained. Thermal conductivities of these liquids at the corresponding state based on each critical temperature and density (T=0.7T cr and ρ=2.24ρcr) are simulated and the results are compared with experimental results. Moreover, these results are reduced based on m, ρcr and Tcr and compared with each other. The reduced thermal conductivity increases as the elongation of molecule increases.

Original languageEnglish
Pages (from-to)1644-1650
Number of pages7
JournalNihon Kikai Gakkai Ronbunshu, B Hen/Transactions of the Japan Society of Mechanical Engineers, Part B
Issue number683
Publication statusPublished - 2003 Jul


  • Diatomic Molecule
  • Equation of State
  • Heat Conduction
  • Heat Transfer
  • Molecular Dynamics
  • Thermophysical Property


Dive into the research topics of 'Investigation of Thermal Conductivity of Diatomic Liquid by Molecular Dynamics Method'. Together they form a unique fingerprint.

Cite this