High Pressure Structures and Equations of State of HIO3 and HI3O8

POSTER

Abstract

Knowledge of high-pressure thermodynamic properties of iodine containing oxides and acids is important toward improving the accuracy of semi-empirical predictions of extreme condition explosive and combustive chemistry of iodine containing formulations. Here we report on the synthesis of explosive chemical products HIO3 and HI3O8 and on the structures and isotropic equations of state up to 35 and 45 GPa respectively. EOS model parameters are provided including parametrized exponential-6 interatomic potential values used to conduct thermochemical calculations of iodine containing reactants.

*This work was performed under the auspices of the U.S. Department of Energy jointly by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344

Authors

  • Joseph Zaug

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore Natl Lab
    • Lawrence Livermore National Labortaotry

  • Elissaios Stavrou

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore Natl Lab
    • Lawrence Livermore National Labortaotry

  • Brian Little

    • AFRL/RWM
    • Air Force Research Laboratory - RWM

  • Sorin Bastea

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore National Labortaotry

  • Jonathan Crowhurst

    • Lawrence Livermore National Laboratory
    • Lawrence Livermore Natl Lab
    • Lawrence Livermore National Labortaotry