Related papers: The mixed-phase version of moist-air entropy
Some existing approaches to modeling the thermodynamics of moist air make approximations that break $\textit{thermodynamic consistency}$, such that the resulting thermodynamics do not obey the 1st and 2nd laws or have other inconsistencies.…
Phase behavior of the Yukawa hard-sphere polydisperse mixture with high degree of polydispersity is studied using high temperature approximation (HTA) and mean spherical approximation (MSA). We have extended and applied the scheme developed…
In simulations of a water-like model (ST2) that exhibits a liquid-liquid phase transition, we test for the occurrence of a thermodynamic region in which the liquid can be modelled as a two-component mixture. We assign each molecule to one…
Water exhibits rich polymorphism, where more than 20 crystalline phases have been experimentally reported. Five of them are metastable and form at low temperatures by either heating amorphous ice or degassing clathrate hydrates. However,…
We derived a new formula for calculating the moist adiabatic temperature profile of an atmosphere consisting of ideal gases with multiple condensing species. This expression unifies various formulas published in the literature and can be…
Water shows intriguing thermodynamic and dynamic anomalies in the supercooled liquid state. One possible explanation of the origin of these anomalies lies in the existence of a metastable liquid-liquid phase transition (LLPT) between two…
A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, electrodynamics, polarization and magnetization is proposed. The mechanical (reversible) part of the theory is constructed in a purely…
Water-ice systems undergoing melting develop complex spatio-temporal interface dynamics and a non-trivial temperature field. In this contribution, we present computational aspects of a recently conducted validation study that aims at…
We study the TIP5P water model proposed by Mahoney and Jorgensen, which is closer to real water than previously-proposed classical pairwise additive potentials. We simulate the model in a wide range of deeply supercooled states and find (i)…
In a recent paper, Romps (JAS, vol.72, p.3639-3646, 2015, hereafter R15) argues that the moist-air static energy (MSE) is only approximately conserved for an adiabatically lifted parcel, and that the quantity "MSE - CAPE" could be used as a…
Water's phase diagram remains one of the most intricate and challenging benchmarks in molecular modeling. In this study, we compute the phase diagram of water using an Atomic Cluster Expansion (ACE) potential trained on density-functional…
Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50…
We study the phase diagram of a system of spherical particles interacting in three dimensions through a potential consisting of a strict hard core plus a linear repulsive shoulder at larger distances. The phase diagram (obtained…
A new mixed scaling parameter $Z=z/\sqrt{Lh}$ is proposed for similarity in the stable atmospheric surface layer, where $z$ is the height, $L$ is the Obukhov length, and $h$ is the boundary layer depth. Compared to the parameter $\zeta =…
New results from the Coupled Model Inter-comparison Project phase 5 (CMIP5) and multiple global reanalysis datasets are used to investigate the relationship between the mean and standard deviation in the surface air temperature. A…
New experiments for water at the surface of proteins at very low temperature display intriguing dynamic behaviors. The extreme conditions of these experiments make it difficult to explore the wide range of thermodynamic state points needed…
We study the transport of methane in the external water envelopes surrounding water-rich super-Earths and estimate its outgassing into the atmosphere. We investigate the influence of methane on the thermodynamics and mechanics of the water…
Gas in the central regions of cool-core clusters and other massive halos has a short cooling time ($\lesssim1~\mathrm{Gyr}$). Theoretical models predict that this gas is susceptible to multiphase condensation, in which cold gas is expected…
Nuclear multifragmentation in intermediate energy heavy ion collisions has long been associated with liquid-gas phase transition. We calculate the shear viscosity to entropy density ratio eta/s for an equilibrated system of nucleons and…
Via molecular dynamics simulations we study ICE formation in the TIP4P/Ice model that is known to describe structure and dynamics in various phases of WATER accurately. For this purpose well equilibrated configurations from different…