Revista internacional de contaminación ambiental
versão impressa ISSN 0188-4999
MAYORAL, Estela; DE LA CRUZ, Eduardo; LONGORIA, Luis Carlos e NAHMAD-ACHAR, Eduardo. Study of the adsorption-desorption process of pollutants in confined media through computacional simulations. Rev. Int. Contam. Ambient [online]. 2011, vol.27, n.3, pp.253-261. ISSN 0188-4999.
Nowadays, the study of dispersion of solid wastes through a porous media is very important in order to estimate the ecological impact that, in particular a radioactive solid waste, could produce when it spreads in the soil. There are some models available in literature which can help us to simulate the dispersion of contaminants through a porous media, taking into account the physicochemical properties of the waste and its effect over the mobility, the adsorption-desorption equilibrium and the irreversible adsorption over the walls that constitute the channel where it diffuses. However, the majority of these models do not consider the cooperative behavior given by the presence of other species competing each other for the substrate and the consequences that this competition produces in the thermodynamic equilibrium of the system. In this sense, the mesoscopic simulations have shown to be a viable alternative to study these kinds of systems. This work presents the study of the adsorption-desorption process for different components in a contaminated fluid by electrostatic mesoscopic molecular simulation using the dissipative particle dynamics method (DPD). Also it shows how the presence of different components modifies the adsorption-desorption equilibrium, this result suggests the importance of including, in the simulation of contaminated fluid in a porous media, the presence of all species in order to obtain results closer to reality.
Palavras-chave : waste dispersion; molecular simulation; mesoscopic simulations; competitive adsorption.