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Equation of state (EOS) describes the thermodynamic properties of substances. It has important applications in many fields such as power mechanics, geophysics, astrophysics, and detonation physics. Currently, most EOSs have been constructed…
For the calculation of complex neutral/ionized gas phase chemical equilibria, we present a semi-analytical versatile and efficient computer program, called FastChem. The applied method is based on the solution of a system of coupled…
Physics-based first-principles pressure-volume-temperature equations of state (EOS) exist for solids and gases but not for liquids due to the long-standing fundamental problems involved in liquid theory. Current EOS models that are…
CONTEXT: Thermal emission from extrasolar planets makes it possible to study important physical processes in their atmospheres and derive more precise orbital elements. AIMS: By using new near infrared and optical data, we examine how these…
We calculate the equation of state (EoS) of dense matter, using a relativistic mean field (RMF) model with a density dependent coupling that is a slightly modified form of the original NL3 interaction. For nonuniform nuclear matter we…
We study the equation of state (EOS) of nuclear matter at subnuclear density in a Virial expansion for a nonideal gas. The gas consists of neutrons, protons, alpha particles, and 8980 species of nuclei with $A \ge 12$ and masses from the…
Coherent anti-Stokes Raman Spectroscopy (CARS) is a laser-based measurement technique widely applied across many science and engineering disciplines to perform non-intrusive gas diagnostics. CARS is often used to study combustion, where the…
Features and parameters of \boiling" liquid layer, which arises under conditions of isentropic expansion of warm dense matter (WDM), are stud- ied with the use of simplest van der Waals equation of state (EOS). Advan- tage of this EOS is…
The SAFT-0 is an equation of state (EOS) that considers the effects of molecular association based on the statistical association fluid theory (SAFT). This EOS recently showed relatively successful calculations of the phase-equilibrium…
Hi-resolution spectroscopy (R > 25,000) has recently emerged as one of the leading methods to detect atomic and molecular species in the atmospheres of exoplanets. However, it has so far been lacking in a robust method to extract…
Characterizing the photolysis processes undergone by transient volatile organic compounds in the troposphere requires the knowledge of their photoabsorption cross-section - quantities often challenging to determine experimentally,…
Understanding the atmospheric parameters of stars on the top of the RGB is essential to reveal the chemical composition of the Milky Way, as they can be used to probe the farthest parts of our Galaxy. Our goal is to determine the chemical…
The selection of a balanced active space is a critical step in multi-reference quantum chemistry calculations, particularly for systems with strong electron correlation. Likewise, active space selection is a key to unlock the potential of…
The Apache Point Observatory Galactic Evolution Experiment (APOGEE) has built the largest moderately high-resolution (R=22, 500) spectroscopic map of the stars across the Milky Way, and including dust-obscured areas. The APOGEE Stellar…
openCOSMO-RS is an open-source predictive thermodynamic model that can be applied to a broad range of systems in various chemical and biochemical engineering domains. This study focuses on improving openCOSMO-RS by introducing a new…
Luminescence thermometry has been extensively exploited in the last decades both from the fundamental and applied point of views. The application of photoluminescent nanoparticles on the microscopic level based on rare-earth doped (RED)…
The relationships among the pressure P, volume V, and temperature T of solid-state materials are described by their equations of state (EOSs), which are often derived from the consideration of the finite-strain energy or the interatomic…
The accurate prediction of solvation free energies is critical for understanding various phenomena in the liquid phase, including reaction rates, equilibrium constants, activity coefficients, and partition coefficients. Despite extensive…
Models of pure gas-phase chemistry in well-shielded regions of molecular clouds predict relatively high levels of molecular oxygen, O2, and water, H2O. Contrary to expectation, the space missions SWAS and Odin found only very small amounts…
We use the spectral synthesis code Cloudy to tabulate the properties of gas for an extensive range in redshift (z=0 to 9), temperature (log T [K] = 1 to 9.5), metallicity (log Z/$\mathrm{Z}_{\odot}$ = -4 to +0.5, Z=0), and density (log…