Related papers: Importance of pore length and geometry in the adso…
Significant progress has been made for assessing the influence of porosity on the performance metrics for cast components through various modeling techniques. However, a computationally efficient framework to account for porosity with…
We present a theoretical study of capillary condensation of fluids adsorbed in mesoporous disordered media. Combining mean-field density functional theory with a coarse-grained description in terms of a lattice-gas model allows us to…
We present a theoretical study of the phase diagram and the structure of a fluid adsorbed in high-porosity aerogels by means of an integral-equation approach combined with the replica formalism. To simulate a realistic gel environment, we…
A mathematical model for the evolution of, and deposition from, a thin particle-laden droplet on an infinitely thick, isotropic, flooded, porous substrate with interconnected pores undergoing simultaneous evaporation and imbibition is…
We consider aspects of the population dynamics, inside a bound domain, of diffusing agents carrying an attribute which is stochastically destroyed upon contact with the boundary. The normal mode analysis of the relevant Helmholtz equation…
Porous electrodes are found in energy storage devices such as supercapacitors and pseudocapacitors. However, the effect of electrode-pore-size distribution over their energy storage properties remains unclear. Here, we develop a model for…
This paper extends the author's previous two-dimensional work with Ou and LeVeque to high-resolution finite volume modeling of systems of fluids and poroelastic media in three dimensions, using logically rectangular mapped grids. A method…
A hydrophobic constriction site can act as an efficient barrier to ion and water permeation if its diameter is less than the diameter of an ion's first hydration shell. This hydrophobic gating mechanism is thought to operate in a number of…
Using grand canonical Monte Carlo simulations, we have explored the phenomenon of capillary condensation (CC) of Ar at the triple temperature inside infinitely long, cylindrical pores. Pores of radius R= 1 nm, 1.7 nm and 2.5 nm have been…
A theoretical model of electroosmosis through a circular pore of radius $a$ that traverses a membrane of thickness $h$ is investigated. Both the cylindrical surface of the pore and the outer surfaces of the membrane are charged. When $h\gg…
In this paper we propose and validate a multiscale model for the description of particle diffusion in presence of trapping boundaries. We start from a drift-diffusion equation in which the drift term describes the effect of bubble traps,…
This study extends previous analytical solutions of concentration-polarization occurring solely in the depleted region, to the more realistic geometry consisting of a three dimensional (3D) heterogeneous ion-permselective medium connecting…
Multiphase flow through a porous medium involves complex interactions between gravity, wettability and capillarity during drainage process. In contrast to these factors, the effect of pore distribution on liquid retention is less…
Pore-scale modeling and simulation of reactive flow in porous media has a range of diverse applications, and poses a number of research challenges. It is known that the morphology of a porous medium has significant influence on the local…
The collision dynamics of hard spheres and cylindrical pores is solved exactly, which is the minimal model for a regularly porous membrane. Nonequilibrium event-driven molecular dynamics simulations are used to show that the permeability…
In this paper we study the mechanical properties and pore structure in a three-dimensional molecular dynamics model of porous glass under athermal quasistatic shear. The vitreous samples are prepared by rapid thermal quench from a high…
Modelling incompressible ideal fluids as a finite collection of vortex filaments is important in physics (super-fluidity, models for the onset of turbulence) as well as for numerical algorithms used in computer graphics for the real time…
We study pore nucleation in a model membrane system, a freestanding polymer film. Nucleated pores smaller than a critical size close, while pores larger than the critical size grow. Holes of varying size were purposefully prepared in liquid…
It has been known for a long time that the adsorption and condensation of gas cause elastic deformation of the porous matrix. The reversible formation of an adsorbed film, which precedes capillary condensation, results in an extension of…
The adsorption of a near-critical fluid confined in a slit pore is investigated by means of density functional theory and by Monte Carlo simulation for a Lennard-Jones fluid. Our work was stimulated by recent experiments for SF_6 adsorbed…