Related papers: Adsorption of a fluid in an aerogel: integral equa…
We present a numerical study of the structural correlations associated to gas adsorption/desorption in silica aerogels in order to provide a theoretical interpretation of scattering experiments. Following our earlier work, we use a…
It is found experimentally that the coexistence region of a vapor-liquid system or a binary mixture is substantially narrowed when the fluid is confined in a aerogel with a high degree of porosity (e.g. of the order of 95% to 99%). A…
We present a grand canonical Monte Carlo simulation study of the phase diagram of a Lennard-Jones fluid adsorbed in a fractal and highly porous aerogel. The gel environment is generated from an off-lattice diffusion limited cluster-cluster…
We have investigated the adsorption and desorption of helium near its liquid-vapor critical point in silica aerogels with porosities between 95% and 98%. We used a capacitive measurement technique which allowed us to probe the helium…
A numerical simulation of silica aerogels is performed using diffusion-limited cluster-cluster aggregation of spheres inside a cubic box (with periodic boundary conditions). The volume fraction $c$ is taken to be sufficiently large to get a…
Phase transitions inside the pores of an aerogel are investigated by modelizing the aerogel structure by diffusion-limited cluster-cluster aggregation on a cubic lattice in a finite box and considering $q$-states Potts variables on the…
We perform cluster aggregation simulations to model the structure of anisotropic aerogel. By biasing the diffusion process, we are able to obtain two distinct types of globally anisotropic aerogel structures which we call "nematic", with…
Adsorption on a boundary line confining a monolayer of particles self-assembling into clusters is studied by MC simulations. We focus on a system of particles interacting via competing interaction potential in which effectively short-range…
We apply local mean-field (i.e. density functional) theory to a lattice model of a fluid in contact with a dilute, disordered gel network. The gel structure is described by a diffusion-limited cluster aggregation model. We focus on the…
We study the adsorption-desorption of fluid molecules on a solid substrate by introducing a schematic model in which the adsorption/desorption transition probabilities are given by irreversible kinetic constraints with a tunable violation…
We introduce a microscopically realistic model of a physical gel and use computer simulations to study its static and dynamic properties at thermal equilibrium. The phase diagram comprises a sol phase, a coexistence region ending at a…
A microscopic model of adsorption in cluster forming systems with competing interaction is considered. The adsorption process is described by the master equation and modelled by a kinetic Monte Carlo method. The evolution of the particle…
We present a detailed numerical study of the elementary condensation events (avalanches) associated to the adsorption of $^4$He in silica aerogels. We use a coarse-grained lattice-gas description and determine the nonequilibrium behavior of…
This work develops a multiphase thermomechanical model of porous silica aerogel and implements an uncertainty analysis framework consisting of the Sobol methods for global sensitivity analyses and Bayesian inference using a set of…
A major challenge in flow through porous media is to better understand the link between microstructure and macroscale flow and transport. For idealised microstructures, the mathematical framework of homogenisation theory can be used for…
Aerogels are very compliant materials - even small stresses can lead to large deformations. In this paper we present measurements of the linear deformation of high porosity aerogels during adsorption of low surface tension fluids, performed…
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 experimental density dependence of gas (argon and nitrogen) permeability of partially densified silica aerogels in the Knudsen regime is quantitatively accounted for by a computer model. The model simulates both the structure of the…
A non-equilibrium thermodynamics model able to analyze the combined effect of diffusion and adsorption in porous materials is proposed. The model considers the coupled dynamics of the diffusive phase, described by a diffusion type equation,…
A simple three-dimensional model of a fluid whose constituent particles interact via a short range attractive and long range repulsive potential is used to model the aggregation into large spherical-like clusters made up of hundreds of…