Theoretical predictions for the phase stability of dense binary mixtures

Details Theoretical predictions for the phase stability of dense binary mixtures Theoretical predictions for the phase stability of dense binary mixtures

Aug 1983

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1983phdt.........6m&link_type=abstract

Ph.D. Thesis Arizona Univ., Tucson.

Computer Science

Binary Mixtures, Crystal Structure, High Pressure, Predictions, Stability, Electron Distribution, Mixing, Perturbation Theory, Poisson Equation

Scientific paper

A new approach is developed for evaluating the mixing properties of binary solutions at high pressure. This involves solving Poisson's equation throughout three-dimensional cubic lattices, consistent with Thomas-Fermi-Dirac (TFD) theory. Zero temperature calculations are carried out for a variety of compositions and crystal structures in 3 pressure groups relevant to Jovian planetary interiors. Pseudopotentials based on the two-component-plasma model (with a uniform electron background) are fitted to the solid-state results, and are then used in liquid-state calculations using hard-sphere perturbation theory. TFD results if H-He solutions find critical temperatures (above which all compositions are soluble) to be approx. 0.500, and 1500 K at pressures of 10, 100, and 1000 Mbar, respectively. These temperatures are much lower than those obtained using free electron perturbation theory, where Tcrit approx. 10,000 K at 10 Mbar.

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