Modelagem, simulação e estimação dos parâmetros por MCMC de um modelo que descreve a dinâmica de adsorção em uma coluna de leito fixo

Abstract

The treatment of industrial effluents is extremely important for both the environment and human health. The purification of water from polluting components, such as metals and organic compounds, for reuse in the industrial process can be considered one of the main applications in this field. Therefore, there is interest in modeling one of the most used treatment processes, adsorption. Aiming to describe the dynamics of the process in an adsorption column, in this work the method of lines and the pdepe function (matlab) are used to solve the model formed by the mass balance in the liquid phase, linear driving force equation (LDF) and the Langmuir isotherm for equilibrium. An evaluation of the model varying some experiment conditions was carried out, from which results congruent with those found in the literature were observed. In addition, a sensitivity analysis of the phenomenon was carried out in relation to the parameters: Langmuir constant, intraparticle mass transfer coefficient and axial dispersion coefficient. Subsequently, these parameters were estimated using the Monte Carlo technique via Markov chain (MCMC) using experimental data found in the literature. Finally, in general, the estimates were good enough to represent the adsorption dynamics of the evaluated experiments.