2015/03/15 by Miguel Ángel Balderas Altamirano, M. A. Balderas Altamirano, S. Cordero +7
Engineering · Mathematics · Physics and Astronomy · #FOS: Physical sciences #Phase Equilibria and Thermodynamics #Soft Condensed Matter (cond-mat.soft) #Stochastic processes and statistical mechanics #Theoretical and Computational Physics #cond-mat.soft
paper · pdf · doi:10.48550/arxiv.1503.04384
arxiv created 2015/03/15 · openalex publication_date 2015/03/15 · arxiv updated 2015/03/17 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
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.