Related papers: Bond strengthening in dense H2O and implications t…
Carbon Dioxide is an important tracer of the chemistry and physics in the terrestrial planet forming zone. Using a thermo-chemical model that has been tested against the mid-infrared water emission we re-interpret the CO2 emission as…
Many atmospheres (cool stars, brown dwarfs, giant planets, extrasolar planets) are predominately composed of molecular hydrogen and helium. H$_2{}^{16}$O is one of the best measured molecules in extrasolar planetary atmospheres to date and…
We have studied dense hydrogen and deuterium experimentally up to 320 GPa and using ab initio molecular dynamic (MD) simulations up to 370 GPa between 250 and 300 K. Raman and optical absorption spectra show significant anharmonic and…
Ice-rich planets are formed exterior to the water ice-line and thus are expected to contain a substantial amount of ices. The high ice content leads to unique conditions in the interior, under which the structure of a planet is affected by…
It has recently been shown that the TIP4P/Ice model of water can be studied numerically in metastable equilibrium at and below its liquid-liquid critical temperature. We report here simulations along a subcritical isotherm, for which two…
We report the results of the X-ray diffraction study of B2O3 glass in the pressure interval up to 10 GPa in the 300-700 K temperature range, the results of in-situ volumetric measurements of the glass at pressures up to 9 GPa at room…
We investigate the effect of pressure, temperature and acidity on the composition of water-rich carbon-bearing fluids at thermodynamic conditions that correspond to the Earth's deep Crust and Upper Mantle. Our first-principles molecular…
Terrestrial exoplanets in the canonical habitable zone may have a variety of initial water fractions due to random volatile delivery by planetesimals. If the total planetary water complement is high, the entire surface may be covered in…
Deep elemental composition is a challenging measurement to achieve in the giant planets of the solar system. Yet, knowledge of the deep composition offers important insights in the internal structure of these planets, their evolutionary…
Rocky planets are thought to comprise compounds of Mg and O as these are among the most abundant elements, but knowledge of their stable phases may be incomplete. MgO is known to be remarkably stable to very high pressure and chemically…
In this paper we present a new thermodynamically consistent phase transition model describing the evolution of a liquid substance, e.g., water, in a rigid container $\Omega$ when we freeze the container. Since the density $\varrho_{2}$ of…
We present a study of gas-phase H2O and CO2 toward a sample of 14 massive protostars with the Short Wavelength Spectrometer (SWS) on board the Infrared Space Observatory (ISO). Modeling of the H2O spectra using a homogeneous model with a…
The object of this study is the kinetic process of solid-liquid first-order phase transition - melting of carbon dioxide CS-I hydrate with various cavity occupation ratios. The work was done within a framework of study on the local…
Using density functional molecular dynamics simulations, we study the behavior of different hydrogen-oxygen compounds at megabar pressures and several thousands of degrees Kelvin where water has been predicted to occur in superionic form.…
Impacts by rocky and icy bodies are thought to have played a key role in shaping the composition of solar system objects, including the Earth's habitability. Hence, it is likely that they play a similar role in exoplanetary systems. We…
Unlike other unusual materials whose bonds contract under compression, the O:H nonbond undergoes contraction and the H-O bond elongation towards O:H and H-O length symmetry in water and ice. The energy drop of the H-O bond dictates the…
We study the H2O chemistry in star-forming environments under the influence of a central X-ray source and a central far ultraviolet (FUV) radiation field. The gas-phase water chemistry is modeled as a function of time, hydrogen density and…
Hydrocarbons are of great importance in carbon-bearing fluids in deep Earth and in ice giant planets at extreme pressure (P)-temperature (T) conditions. Raman spectroscopy is a powerful tool to study the chemical speciation of hydrocarbons;…
Water is essential to our understanding of the planet-formation process and habitability on Earth. Although trace amounts of water are seen across all phases of star and planet formation, the bulk of the water reservoir often goes…
Simulations of Jupiter's formation are presented that incorporate mixing of H-He with denser material entering the planet as solids. Heavy compounds and gas mix substantially when the planet becomes roughly as massive as Earth, because…