Utilização de técnicas de estimação de parâmetros para determinação simultânea da cinética e isoterma de adsorção

• Autor(a) principal: Conceição, Joélington do Carmo
• Data de Publicação: 2018
• Tipo de documento: Dissertação
• Idioma: por
• Título da fonte: Repositório Institucional da UFS
• Texto Completo: http://ri.ufs.br/jspui/handle/riufs/17111
• topic: Engenharia química; Modelagem; Cinética química; Adsorção; Adsorção em batelada; Estimação de parâmetros; Modeling; Batch adsorption; Estimation of parameters; ENGENHARIAS::ENGENHARIA QUIMICA

The understanding of the phenomena involved in the adsorption processes, regardless of the mode of operation, is mainly based on how the adsorption kinetics of the solute in an adsorbent occurs until equilibrium occurs. However, it is necessary to carry out experiments to obtain kinetic and adsorption isotherm data, which in batch mode consists of the addition of a certain mass of adsorbent in a container containing a given volume and initial concentration of the solute, with this, to follow the variation of the concentration of the solute until reaching equilibrium. After obtaining the data, phenomenological models are used to understand the kinetics and the adsorption equilibrium, through the estimation of parameters that consider the actual input and output variables measured experimentally in an adsorption process. This fact, which is not common in several works found in the literature, makes use of an inference variable (quantity adsorbed) as the process output variable. In addition, it is very common in the literature to treat and perform the modeling of adsorption kinetics and isotherm data separately, in addition, in the treatment of kinetic data it is very common to obtain a model for each kinetic curve and not a single model capable of predicting the various concentration profiles. Thus, this work has as main objective to simultaneously estimate the parameters of kinetics and equilibrium in a single model, considering the actual input and output variables of an adsorption process, using experimental data from the literature. For this, estimation procedures were elaborated, combining kinetic and isothermal models, as well as showing that kinetic parameters are functions of other input variables. All the routines for this work were implemented in the FORTAN 90 programming language in the ESTIMA software. The evaluation of the results was done through statistical analyzes of the estimates to measure the quality of the adjustments and the estimated parameters, based on the chi-square (x2) and t-Student probability distributions, with 95% confidence. The results showed that it is possible to perform the simultaneous estimation of kinetic and isothermal parameters in a single model, obtaining a good fit, also reducing the number of model parameters.