Thermodynamic and Transport Properties of Hydrogen and Deuterium Fluids Within Atom–Atom Approximation

Computer simulation results for highly compressed molecular hydrogen and deuterium fluids at pressures up to 100 GPa are preseInted. Nonempirical atom atom approximation for nonrigid molecules was used for description of intra- and iIntermolecular iInteractions. Quantum corrections are included within the Feynman variational approach. Pressure, energy, isothermal compressibility, thermal expansion, heat capacities, and speed of sound, as well as transport properties of hydrogen and deuterium fluids at elevated temperatures and high densities, are computed using appropriate computer simulation procedures. Predictions of self-diffusion, shear viscosity, and thermal conductivity of shock- compressed deuterium and hydrogen fluids are preseInted.