Abstract

Novel simulation procedure of self-diffusion through model porous media is presented. The procedure is based on extensive use of molecular dynamic method. The introduced diffusion simulations have a potential to become a valuable design and development tool applications involving transport in porous media, e.g. filters or porous sensors. The porous membranes are created using phase-separating model with high surface tension and its properties are characterized and compared with existing porosimetry measurements and small angle scattering experiments. These membranes are then filled with a gas of diffusing particles. Relations between transport coefficients and material structure are discussed.