Related papers: Phase Diagram for the Methane-Ethane System and it…
The isoscaling behavior is investigated using the isotopic/isobaric yields from the equilibrated thermal source which is prepared by the lattice gas model for lighter systems with A = 36. The isoscaling parameters $\alpha$ and -$\beta$ are…
In this study, we employ molecular simulations to investigate the enhancement in thermal conductance at the solid/liquid interface in the presence of a meniscus reported previously (Klochko et al., Phys. Chem. Chem. Phys. 25(4):3298-3308,…
Ethanolamine (NH$_2$CH$_2$CH$_2$OH, EA) has been identified in the gas phase of the ISM within molecular clouds. Although EA has not been directly observed in the molecular ice phase, a solid state formation mechanism has been proposed.…
We present an analysis of the VIMS solar occultations dataset, which allows us to extract vertically resolved information on the characteristics of Titan's atmosphere between 100-700 km with a characteristic vertical resolution of 10 km.…
The phase diagram of ice Ih, II, and III is studied by a quasi-harmonic approximation. The results of this approach are compared to phase diagrams previously derived by thermodynamic integration using path integral and classical…
Data for inelastic processes due to hydrogen atom collisions with manganese and titanium are needed for accurate modeling of the corresponding spectra in late-type stars. In this work excitation and charge transfer in low-energy Mn+H and…
In this work, we have estimated self diffusion coefficients along with the binary diffusion coefficients of mixtures of alkane (methane, ethane, propane and n-butane) in SPC/E water(H$_2$O). Molecular dynamics study of a binary mixture of…
We present a new description of the 7.7~$\mu$m region towards the high-mass star-forming region IRAS 23385+6053 taken from open James Webb Space Telescope Mid-Infrared Instrument Medium Resolution Spectrometer (JWST MIRI/MRS) data. This…
As titanium is a highly utilized metal for structural light-weighting, its phases, transformation pathways (transition states), and structures have scientific and industrial importance. Impurities, pressure, and temperature control the…
The interplay between electron correlation and nuclear quantum effects makes our understanding of elemental hydrogen a formidable challenge. Here, we present the phase diagram of hydrogen and deuterium at low temperatures and high-pressure…
Using density functional theory molecular dynamics simulations, we predict shock Hugoniot curves of precompressed methane up to 75000 K for initial densities ranging from 0.35 to 0.70 g/cc. At 4000 K, we observe the transformation into a…
The abundances of major carbon and oxygen bearing gases in the atmospheres of giant exoplanets provide insights into atmospheric chemistry and planet formation processes. Thermochemistry suggests that methane should be the dominant…
We use super-paramagnetic spherical particles which are arranged in a two-dimensional monolayer at a water/air interface to investigate the crystal to liquid phase transition. According to the KTHNY theory a crystal melts in thermal…
Glass-to-glass and liquid-to-liquid phase transitions are observed in bulk and confined water, with or without applied pressure. They result from the competition of two liquid phases separated by an enthalpy difference depending on…
Nonequilibrium steady state of isothermal biochemical cycle kinetics has been extensively studied, but much less investigated under non-isothermal conditions. However, once the heat exchange between subsystems is rather slow, the isothermal…
We explored the composition dependence of a rather comprehensive set of properties of liquid water-ethanol mixtures by using the isobaric-isothermal molecular dynamics computer simulations. The united atom non-polarizable model from the…
Parametrizing energy functions for ionic systems can be challenging. Here, the total energy function for an eutectic system consisting of water, SCN$^-$, K$^+$ and acetamide is improved vis-a-vis experimentally measured properties. Given…
Hydrogen at high temperature and pressure undergoes a phase transition from a liquid molecular phase to a conductive atomic state, or liquid metallic hydrogen, sometimes referred to as the plasma phase transition (PPT). The PPT phase line…
The overall solid-to-solid phase transformation kinetics under non-isothermal conditions has been modeled by means of a differential equation method. The method requires provisions for expressions of the fraction of the transformed phase in…
We present spectra of Eris from the MMT 6.5 meter telescope and Red Channel Spectrograph (5700-9800 angstroms; 5 angstroms per pix) on Mt. Hopkins, AZ, and of Pluto from the Steward Observatory 2.3 meter telescope and Boller and Chivens…