Adsorption desorption processes on mesoscopic pores conected to microscopic pores of complex geometry using the Ising model

In this work we report studies of nitrogen adsorption and desorption onto solid surfaces using computer simulations of the three dimensional Ising model, for systems with complex porous structures at the mesoscopic and microscopic levels. A hysteresis cycle between the adsorption and desorption processes appears and we find that its characteristics are dependent on the geometry of the pore and on the strength of the surface fluid interaction. We obtained also an average adsorption isotherm, which represents a combination of differently shaped pores, and shows robust jumps at certain values of the chemical potential as a consequence of the structures of the pores. Lastly, we compare our results with experimental data and also report the filling process of microscopic pores connected with mesopores. It is argued that these predictions are useful for researchers working on the enhanced recovery of oil and for the design of new nanomaterials, among others

Dynamical demixing of a binary mixture under sedimentation

We investigate the sedimentation dynamics of a binary mixture, the species of which differ by their Stokes coefficients but are identical otherwise. We analyze the sedimentation dynamics and the morphology of the final deposits using Brownian dynamics simulations for mixtures with a range of sedimentation velocities of both species. We found a threshold in the sedimentation velocities difference above which the species in the final deposit are segregated. The degree of segregation increases with the difference in the Stokes coefficients or the sedimentation velocities above the threshold. We propose a simple mean-field model that captures the main features of the simulated deposits