Related papers: In Silico Seawater
A huge amount of water at supercritical conditions exists in Earth's interior, where its dielectric properties play a critical role in determining how it stores and transports materials. However, it is very challenging to obtain the static…
It is shown that structuring at the microlevel, a previously not described in detail phenomenon, is the intrinsic property of water and aqueous solutions. At room conditions water (including "ultrapure" one) and aqueous solutions are…
A core-softened model of a glass forming fluid is numerically studied in the limit of very low temperatures. The model shows two qualitatively different behaviors depending on the strength of the attraction between particles. For no or low…
As the most important solvent, water has been at the center of interest since the advent of computer simulations. While early molecular dynamics and Monte Carlo simulations had to make use of simple model potentials to describe the atomic…
Salinity and submergence have shaped coastal wetlands into one of the most productive and yet fragile ecotones worldwide. Sea-level rise alters both salinity and submersion regimes, threatening the future existence of these habitats. Still,…
We study ocean exoplanets, for which the global surface ocean is separated from the rocky interior by a high-pressure ice mantle. We describe a mechanism that can pump salts out of the ocean, resulting in oceans of very low salinity. Here…
The freshwater crisis is a growing concern and a pressing problem for the world because of the increasing population, civilization, and rapid industrial growth. The water treatment facilities are able to supply less than 1% of the total…
Theoretical and experimental investigations of water vapor interaction with porous materials are very needful for various fields of science and technology. Not only studies of the interaction of water vapor and porous material as a…
Explicit molecular dynamics simulations were applied to a pair of amorphous silica nanoparticles in aqueous solution, of diameter 4.4 nm with four different background electrolyte concentrations, to extract the mean force acting between the…
Near surface seafloor properties are needed for recreational, commercial, and military applications. Construction projects on the ocean seafloors often require extensive knowledge about strength, deformability, hydraulic, thermal, acoustic,…
Of profound astrobiological interest, Enceladus appears to have a global subsurface ocean that is salty, indicating water-rock reaction at present or in the past, important for its habitability. Here, we investigate how salinity and the…
The separation of liquid mixture has been studied for a long time. Separation proceeds based on the difference in physical properties including pore size and electrostatic interaction. Therefore, there are many difficulties in separation of…
Senior dialkyl sulfoxides constitute interest in the context of biomedical sciences due to their abilities to penetrate phospholipid bilayers, dissolve drugs, and serve as cryoprotectants. Intermolecular interactions with water, a paramount…
The influence of atmospheric composition on the climates of present-day and early Earth has been studied extensively, but the role of ocean composition has received less attention. We use the ROCKE-3D ocean-atmosphere general circulation…
Theoretical and experimental investigations of water vapor interaction with porous materials are carried out both at the macro level and at the micro level. At the macro level, the influence of the arrangement structure of individual pores…
We perform lengthy molecular dynamics simulations of the SPC/E model of water to investigate the dynamics under pressure at many temperatures and compare with experimental measurements. We calculate the isochrones of the diffusion constant…
Water content and the internal evolution of terrestrial planets and icy bodies are closely linked. The distribution of water in planetary systems is controlled by the temperature structure in the protoplanetary disk and dynamics and…
Simulations of water near extended hydrophobic spherical solutes have revealed the presence of a region of depleted density and accompanying enhanced density fluctuations.The physical origin of both phenomena has remained somewhat obscure.…
The structure of aqueous CsCl solutions was investigated by classical molecular dynamics simulations (MD) at three salt concentrations (1.5, 7.5, and 15 mol %). Thirty interatomic potential sets, based on the 12-6 Lennard-Jones model,…
Sea ice is a key component of the Earth's climate system, making its aging process an essential focus of current research. The age of sea ice is closely linked to its thermal and mechanical properties, which govern its interactions with the…