Related papers: Thermodynamic Models for Vapor-Liquid Equilibria o…
CO2 capture and storage is an important technology for mitigating climate change. Design of efficient strategies for safe, long-term storage requires the capability to efficiently simulate processes taking place on very different temporal…
Analyzing three approximate methods to locate liquid-solid coexistence in simple systems, an observation is made that all of them predict the same functional dependence of the temperature on density at freezing and melting of the…
A collisional model of a confined quasi-two-dimensional granular mixture is considered to analyze homogeneous steady states. The model includes an effective mechanism to transfer the kinetic energy injected by vibration in the vertical…
A new molecular simulation method for the calculation of vapour-liquid equilibria of mixtures is presented. In this method, the independent thermodynamic variables are temperature and liquid composition. In the first step, one isobaric…
Monte Carlo simulations are presented for a coarse-grained model of real quadrupolar fluids. Molecules are represented by particles interacting with Lennard-Jones forces plus the thermally averaged quadrupole-quadrupole interaction. The…
We present results from long-term, numerical-relativity simulations of binary neutron star mergers modeled using both, fully tabulated, finite-temperature, equations of state and their corresponding hybrid representations. The simulations…
Realistic scenario can be represented by general canonical ensemble way better than the ideal one, with proper parameter sets involved. We study the Bose-Einstein condensation phenomena of liquid helium within the framework of Tsallis…
Boron carbide (B$_4$C) is of both fundamental scientific and practical interest in inertial confinement fusion (ICF) and high energy density physics experiments. We report the results of a comprehensive computational study of the equation…
The Jones-Wilkins-Lee (JWL) equation of state (EOS) is the most popular equation of state used in hydrocodes to model detonation products thermodynamics resulting from high explosives. However, the JWL EOS presents several major…
Accurate prediction of electron temperature ($T_{\rm e}$) in non-equilibrium plasma flows is critical for applications ranging from hypersonic flight to plasma-assisted combustion. We recently proposed a thermodynamically consistent model…
A novel mathematical rigorous method to obtain the vapor-liquid equilibrium curves near the critical point has been proposed covering the cases of well-known and commonly used equations of state for real gases - Van der Waals and Dieterici,…
We establish three partial differential equation models describing the thermodynamics of the fluid, by combining the energetic variational approach, appropriate constitutive relations, and classical thermodynamics laws. What is more, by…
An Equation of State (\textit{EoS}) closes the set of fluid equations. Although an ideal EoS with a constant \textit{adiabatic index} $\Gamma$ is the preferred choice due to its simplistic implementation, many astrophysical fluid…
The thermodynamical model of viscoelastic deformable solids at finite strains with Kelvin-Voigt rheology with a higher-order viscosity (using the concept of multipolar materials) is formulated in a fully Eulerian way in rates. Assumptions…
Supercritical oxidation processes in jet-stirred reactors (JSR) have been modeled based on ideal gas assumption. This can lead to significant errors in or complete misinterpretation of modeling results. Therefore, this study newly developed…
The metastable region of binary mixtures is examined with the PC-SAFT equa-tion of state (EOS) and compared to molecular simulations. The studied mixtures are Methane + Ethane, Methanol + Ethanol, Carbon Dioxide + Toluene, Carbon Dioxide +…
New vapor-liquid equilibrium (VLE) data are continuously being measured and new parameter values, e.g., for the nonrandom two-liquid (NRTL) model are estimated and published. The parameter $\alpha$, the nonrandomness parameter of NRTL, is…
A complete thermodynamical analysis for a binary mixture of viscous Korteweg fluids with two velocities and two temperatures is developed. The constitutive functions are allowed to depend on the diffusion velocity and the specific internal…
Coarse-grain Lagrangian methods, such as Dissipative Particle Dynamics ( Hoogerbrugge et al., EPL, 1992), are suitable for describing mesoscopic fluid systems that include thermal fluctuations. However, the realistic simulation of liquids…
Contrary to the case of solids and gases, where Debye theory and kinetic theory offer a good description for most of the physical properties, a complete theoretical understanding of the vibrational and thermodynamic properties of liquids is…