This paper presents results of first-principles density functional calculations of the equation of state (EOS) of PETN-I and P-HMX. The isotropic EOS for hydrostatic compression has been extended to include uniaxial compressions in the [100], [010], [001], [110], [101], [Oil], and [111] directions up to compression ratio VAAQ = 0.70. Equilibrium properties, including lattice parameters and elas...

Obtaining an accurate equation of state (EOS) of polystyrene (CH) is crucial to reliably design inertial confinement fusion (ICF) capsules using CH/CH-based ablators. With first-principles calculations, we have investigated the extended EOS of CH over a wide range of plasma conditions (ρ=0.1to100g/cm(3) and T=1000 to 4,000,000 K). When compared with the widely used SESAME-EOS table, the first-p...

We use Wetterich’s parameterization equation of state (EOS) of dark energy to a 5D Ricci-flat cosmological solution and we suppose the universe contains three major components: matter, radiation and dark energy. By using the relation between the scale factor and the redshift z, we show that the two arbitrary functions contained in the 5D solution could be solved out analytically in terms of the...

In this work, an equation of state (EoS) is developed to predict accurately the phase behavior of ionic liquid + CO2 systems based on the truncated perturbed chain polar statistical associating fluid theory (tPC-PSAFT) EoS. This EoS accounts explicitly for the dipolar interactions between ionic liquid molecules, the quadrupolar interactions between CO2 molecules, and the Lewis acid-base type of...

The relativistic equation of state (EOS) of the Van-der-Waals gas is suggested and analyzed. In contrast to the usual case, the Lorentz contraction of the sphere’s volume is taken into account. It is proven that the suggested EOS obeys the causality in the limit of high densities, i.e., the value of sound velocity of such a media is subluminar. The pressure obtained for the high values of chemi...

[1] In situ crystallography based on diamond anvil cells have been extended to the multimegabar regime. Temperatures in these experiments have crossed the 2500 K mark. Yet, current high pressure-temperature (PT) standards of calibration produce uncertainties that inhibit clear conclusions about phenomena of importance to planetary processes, e.g., the postperovskite transition in Earth’s mantle...

The appearance of the QCD phase transition (QPT) at low temperatures and high densities will change the properties of neutron stars (NS). Whether this change will be visible with telescopes and gravitational wave antennas depends strongly on the equation of state (eos) of hadronic and quark matter and on the construction of the phase transition (PT).

Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) coupled with the Young-Laplace equation is a recently developed equation of state (EOS) that successfully presents not only the capillary condensation but also the pore critical phenomena. The development of this new EOS allows further investigation of the heats involved in condensation. Compared to the conventional approaches, the ...

solubility of high molecular weight n-paraffins in supercritical carbon dioxide has been a matter of interest to many researchers. however, not sufficient solubility experimental data are available although the methods by which the experimental data are obtained have many varieties. utilizing cubic equations of state is an effective method for solubility prediction of n-paraffins in supercritic...

We have ported a fully implicit EOS (equation-of-state) compositional parallel reservoir simulator to a cluster of PCs. We report on the performance of the cluster, both in terms of scalability and in absolute performance relative to an IBM SP. The simulator scales well through 16 processors, with each run taking less than twice as long as the comparable run on the SP.