2D microscopic and macroscopic simulation of water and porous material interaction

Abstract

topic JINR LIT evolves to various states of equilibrium, characterized by different values of the macroscopic characteristics such as temperature, density, pressure. Comparisons of results of molecular dynamic simulations with the results of calculations based on the macroscopic diffusion model and experimental data allow to conclude that the combination of macroscopic and microscopic approach could produce more adequate and more accurate description of processes of water vapor interaction with porous materials.

Numerical Investigation of the Water Vapour Diffusivity inside Homogeneous Porous Media

“…The equations (2) are written under the assumption that the behavior of the water vapour in a homogeneous porous medium is similar to the behavior of the water vapour in an individual through-type pore with suitable hydraulic properties [2][3][4].…”