Related papers: Diffusion of CH$_4$ in amorphous solid water
The properties of liquid water are known to change drastically in confined geometries. A most interesting and intriguing phenomenon is that the diffusion of water is found to be strongly enhanced by the proximity of a hydrophobic confining…
Microgels are soft colloidal particles that, when dispersed in a solvent, swell and deswell in response to changes in environmental conditions, such as temperature, concentration, and $p$H. Using Monte Carlo simulation, we model bulk…
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 investigate water and deuterated water chemistry in turbulent protoplanetary disks. Chemical rate equations are solved with the diffusion term, mimicking turbulent mixing in vertical direction. Water near the midplane is transported to…
Using the methods of computer modeling this scientific paper studies the special features of diffusion of the particles subjected to the external periodic force in the crystal lattice. The particle motion is described by a Langevin…
We numerically investigate the self-diffusion coefficient and correlation length of the rigid clusters (i.e., the typical size of the collective motions) in sheared soft athermal particles. Here we find that the rheological flow curves on…
We numerically examine solutal convection in porous media, driven by the dissolution of carbon dioxide (CO2) into water---an effective mechanism for CO2 storage in saline aquifers. Dissolution is associated with slow diffusion of free-phase…
An investigation of the effect of surface diffusion in random deposition model is made by analytical methods and reasoning. For any given site, the extent to which a particle can diffuse is decided by the morphology in the immediate…
We explore by means of modeling how absorptive-dispersive mixing between the second- and third-order terms modify the imaginary chi(2)total responses from air/water interfaces under conditions of varying charge densities and ionic strength.…
We present a multiscale theoretical framework to investigate the interplay between diffusion and finite lattice deformation in phase transformation materials. In this framework, we use the Cauchy-Born Rule and the Principle of Virtual Power…
Observationally inferred crystalline abundance in silicates in comets, which should have been formed in the outer region of a protoplanetary disk, is relatively high (~ 10-60%), although crystalline silicates would be formed by annealing of…
Context. The molecular composition of interstellar ice mantles is defined by gas-grain processes in molecular clouds, with the main components being $H_2O$, $CO$, and $CO_2$. $CH_3OH$ ice is detected towards the denser regions, where large…
Using kinetic Monte Carlo simulations and a bond-counting ansatz, thermal stability and diffusion of an adatom island on a crystal surface are studied. At low temperatures, the diffusion constant $D$ is found to decrease for a wide range of…
Immiscible fluid displacement in porous media is fundamental for many environmental processes, including infiltration of water in soils, groundwater remediation, enhanced recovery of hydrocarbons and carbon geosequestration. Microstructural…
Turbulent transport of chemical elements in radiative zones of stars is considered in current stellar evolution codes thanks to phenomenologically derived diffusion coefficients. Recent local numerical simulations (Prat & Ligni\`eres 2013,…
We study, by Monte Carlo simulations, a coarse-grained model of a water monolayer between hydrophobic walls at partial hydration, with a wall-to-wall distance of about 0.5 nm. We analyze how the diffusion constant parallel to the walls,…
Diffusion effect on chirality selection in a two-dimensional reaction-diffusion model is studied by the Monte Carlo simulation. The model consists of achiral reactants A which turn into either of the chiral products, R or S, in a solvent of…
We consider experimentally the instability and mass transport of a porous-medium flow in a Hele-Shaw geometry. In an initially stable configuration, a lighter fluid (water) is located over a heavier fluid (propylene glycol). The fluids mix…
The diffusion of finite-size hard-core interacting particles in two- or three-dimensional confined domains is considered in the limit that the confinement dimensions become comparable to the particle's dimensions. The result is a nonlinear…
We study the superfluid transition of $^4$He in aerogel by Monte Carlo simulations and finite size scaling analysis. Aerogel is a highly porous silica glass, which we model by a diffusion limited cluster aggregation model. The superfluid is…