Modelagem do processo de degradação de poluentes orgânicos presentes efluentes industriais
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Arquivos
Data
2019-11-26
Autores
Olivan, Caique [UNIFESP]
Orientadores
Moraes, José Ermírio Ferreira de [UNIFESP]
Tipo
Trabalho de conclusão de curso de graduação
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Resumo
A emissão de poluentes orgânicos em meio aquático é uma questão emergente em tratamento de efluentes, devido ao potencial nocivo apresentado. Dentre estes destacam-se os poluentes da indústria farmacêutica, pois fármacos interagem fisiologicamente com seres vivos, com a possibilidade de gerar efeitos indesejados nos indivíduos expostos a estes. A remoção destes compostos por meio de processos de tratamento biológicos torna-se inviável devido a nocividade que tais compostos químicos podem apresentar aos microrganismos. Processos físico-químicos também são incapazes de trazer solução definitiva aos poluentes estudados. Assim, tem-se nos Processos Oxidativos Avançados (POA) a melhor solução tecnicamente disponível, devido a sua capacidade de degradar os compostos alvo. Estes fazem uso de radicais livres altamente reativos e pouco seletivos para promover a degradação do composto alvo em intermediários inócuos ou até a mineralização completa. O presente trabalho tem como objetivo estudar computacionalmente a degradação do fármaco acetaminofeno por meio do processo de Fenton. Para isso, fez-se uso de mecanismo reacional associado a dados cinéticos obtidos para o processo de Fenton e para a degradação do acetaminofeno, que é um fármaco de amplo consumo no Brasil e em vários países, sendo usado, no presente trabalho, como poluente modelo. Tais dados foram combinados de forma a gerar um modelo para a degradação do fármaco por meio do processo de Fenton. Determinou-se as equações para as taxas de reação. Com base nesses dados, efetuou-se os balanços de massa para todas as espécies químicas presentes no meio reacional. O modelo obtido foi simulado, em função do tempo de reação, em um reator batelada isotérmico, com volume constante, em diversas condições iniciais, com o uso do software Matlab®. Inicialmente, efetuou-se a simulação da degradação do fármaco fazendo-se uso das condições utilizadas por Reina et al. (2014). Verificou-se que houve necessidade de alterar os parâmetros temperatura e concentração do íon ferroso para obter condições adequadas a mineralização do acetaminofeno.
Organic polutants emission in aquatic environment is an emerging question in wastewater treatment, due to potential harm presented by them. Among these pollutants, those related to the pharmaceutical industry stand out, because pharmaceutical compounds Interact physiologically with living beings, with the possibility of generating undesirable effects to exposed individuals. The removal of these coumpounds by means of biological treatment processes has no viability due to the toxicity which these compounds might present to microrganisms. Physicochemical processes are also unable to offer a final solution to the studied pollutants. Therefore, the Advanced Oxidation Processes (AOP) are the best technically solution available, due to its capacity to degrade the target compounds. They use highly reactive and poorly selective free radicals in order to promote degradation of the target compound into innocuous reaction intermediates or to complete mineralization. This work aims to study the acetaminophen degradation process computationally using Fenton’s process. For this purpose, a reaction mechanism was used associated with kinetic data obtained for the Fenton process and for the degradation of acetaminophen, which is a widely used drug in Brazil and in several countries, being used in the present work as a model pollutant.. The data were combined to generate a model for drug degradation by the Fenton’s process. Equations for reaction rates were determined. Based on these data, mass balances were performed for all chemical species present in the reaction medium. The obtained model was simulated, as a reaction time function, in a constant volume isothermal batch reactor under various initial conditions, using the Matlab® software. Initially, drug degradation was simulated using the conditions applied by Reina et al. (2014). It was determined that there was a need to change the temperature and concentration of the ferrous ion in order to obtain suitable conditions for acetaminophen mineralization.
Organic polutants emission in aquatic environment is an emerging question in wastewater treatment, due to potential harm presented by them. Among these pollutants, those related to the pharmaceutical industry stand out, because pharmaceutical compounds Interact physiologically with living beings, with the possibility of generating undesirable effects to exposed individuals. The removal of these coumpounds by means of biological treatment processes has no viability due to the toxicity which these compounds might present to microrganisms. Physicochemical processes are also unable to offer a final solution to the studied pollutants. Therefore, the Advanced Oxidation Processes (AOP) are the best technically solution available, due to its capacity to degrade the target compounds. They use highly reactive and poorly selective free radicals in order to promote degradation of the target compound into innocuous reaction intermediates or to complete mineralization. This work aims to study the acetaminophen degradation process computationally using Fenton’s process. For this purpose, a reaction mechanism was used associated with kinetic data obtained for the Fenton process and for the degradation of acetaminophen, which is a widely used drug in Brazil and in several countries, being used in the present work as a model pollutant.. The data were combined to generate a model for drug degradation by the Fenton’s process. Equations for reaction rates were determined. Based on these data, mass balances were performed for all chemical species present in the reaction medium. The obtained model was simulated, as a reaction time function, in a constant volume isothermal batch reactor under various initial conditions, using the Matlab® software. Initially, drug degradation was simulated using the conditions applied by Reina et al. (2014). It was determined that there was a need to change the temperature and concentration of the ferrous ion in order to obtain suitable conditions for acetaminophen mineralization.