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TIAN Chun-Ling, JING Fu-Qian, GU Yun-Jun, CAI Ling-Cang, LIU Fu-Sheng. Equations of State for Fluid Hydrogen and Deuterium: Dissociation Effects Studies[J]. Chinese Journal of High Pressure Physics, 2007, 21(1): 8-14 . doi: 10.11858/gywlxb.2007.01.002
Citation: TIAN Chun-Ling, JING Fu-Qian, GU Yun-Jun, CAI Ling-Cang, LIU Fu-Sheng. Equations of State for Fluid Hydrogen and Deuterium: Dissociation Effects Studies[J]. Chinese Journal of High Pressure Physics, 2007, 21(1): 8-14 . doi: 10.11858/gywlxb.2007.01.002

Equations of State for Fluid Hydrogen and Deuterium: Dissociation Effects Studies

doi: 10.11858/gywlxb.2007.01.002
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  • Corresponding author: TIAN Chun-Ling
  • Received Date: 06 Jan 2006
  • Rev Recd Date: 17 Mar 2006
  • Publish Date: 05 Mar 2007
  • Molecular hydrogen and deuterium under high temperature and high density conditions may undergo dissociation reaction, and thus transforms to an interacting mixture composed of molecules and atoms with complex interactions between constituent particles. In this paper, we use onecomponent fluid van der Waals (VDWLF) mixture approximation, in which an equivalent one-component potential is utilized to describe that compression behavior of such a mixture system in order to simplify the statistical thermodynamic treatment, and, therefore, calculate the internal energy and pressure of this system and concentration for each constituents through Helmholtz free energy minimization. The dissociation effects including temperature- and pressure-induced are studied in the density and temperature range of 0.6 g/cm3 (corresponding molar volume V3.3 cm3/mol) and T10 000 K, respectively. The calculated isothermal equations of state of hydrogen are basically in agreement with those calculated by the two-component fluid variational theory and the first principle molecular dynamics and Monte Carlo simulations. The calculated single shock and double shock Hugoniots for molecular deuterium are also in well accord with experiments. The above mentioned results demonstrate the VDWLF mixture approximation is valid for the compression behavior descriptions of hydrogen (deuterium) within the region of 0.6 g/cm3 (corresponding molar volume V3.3 cm3/mol) and T10 000 K.

     

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