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The hydrogen equation of state at high densities

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 Added by Jan Vorberger
 Publication date 2011
  fields Physics
and research's language is English




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We use a two-fluid model combining the quantum Greens function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully ionized plasmas of any electron degeneracy and any ionic coupling strength which are important for the modeling of a variety of astrophysical objects and inertial confinement fusion targets. We have also performed density functional molecular dynamics simulations (DFT-MD) and show that the data obtained agree with our approach in the high density limit. Good agreement is also found between DFT-MD and quantum Monte Carlo simulations. The thermodynamic properties of dense hydrogen can thus be obtained for the entire density range using only calculations in the physical picture.



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Equation of state for partially ionized carbon at temperatures T > ~ 10^5 K is calculated in a wide range of densities, using the method of free energy minimization in the framework of the chemical picture of plasmas. The free energy model includes the internal partition functions of bound species. The latter are calculated by a self-consistent treatment of each ionization stage in the plasma environment taking into account pressure ionization. The long-range Coulomb interactions between ions and screening of the ions by free electrons are included using our previously published analytical model.
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We calculate the equation of state of dense hydrogen within the chemical picture. Fluid variational theory is generalized for a multi-component system of molecules, atoms, electrons, and protons. Chemical equilibrium is supposed for the reactions dissociation and ionization. We identify the region of thermodynamic instability which is related to the plasma phase transition. The reflectivity is calculated along the Hugoniot curve and compared with experimental results. The equation-of-state data is used to calculate the pressure and temperature profiles for the interior of Jupiter.
We present and discuss a wide-range hydrogen equation of state model based on a consistent set of ab initio simulations including quantum protons and electrons. Both the process of constructing this model and its predictions are discussed in detail. The cornerstones of this work are the specification of simple physically motivated free energy models, a general multiparameter/multiderivative fitting method, and the use of the most accurate simulation methods to date. The resulting equation of state aims for a global range of validity ($T = 1-10^9 K$ and $V_m = 10^{-9}-1 m^3/mol$), as the models are specifically constructed to reproduce exact thermodynamic and mechanical limits. Our model is for the most part analytic or semianalytic and is thermodynamically consistent by construction; the problem of interpolating between distinctly different models -often a cause for thermodynamic inconsistencies and spurious discontinuities- is avoided entirely.
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