Modelagem e simulação do processo de epoxidação de óleo vegetal
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Dissertação
Data
2021
Autores
Luis, Daniela Denleschi Fernandes
Orientador
Novazzi, L. F.
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LUIS, Daniela Denleschi Fernandes. Modelagem e simulação do processo de epoxidação de óleo vegetal. São Bernardo do Campo, 2021. 95 f. Dissertação (Mestrado em engenharia Química) - Centro Universitário FEI, São Bernardo do Campo, 2021. Disponível em: https://doi.org/10.31414/EQ.2021.D.131349.
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Palavras-chave
epoxidação,óleo de soja,equilíbrio de fases,cinética química
Resumo
Atualmente, a epoxidação do óleos vegetais é um tema discutido e estudado, por ser uma alternativa verde em substituição aos epóxidos à base de petróleo, como o ftalato de dioctil (DOP), plastificante de maior consumo na produção de PVC. A reação de epoxidação é realizada na presença de ácido peracético, previamente formado através da reação de ácido acético, peróxido de hidrogênio e um catalisador sólido, como a resina de troca iônica. Industrialmente, o processo é realizado em batelada com controle de temperatura do sistema, pois a reação exotérmica pode oferecer riscos a operação. Estudos anteriores não abordaram o equilíbrio de fases do sistema. Sendo assim, este trabalho avalia e propõe uma modelagem para estudo do equilíbrio de fases na reação de epoxidação do óleo de soja. As leis cinéticas foram tomadas da literatura e escritos balanços materiais para cada um dos componentes, num sistema batelada, resolvendo-se em seguida o sistema de equações diferenciais resultante. As simulações mostraram que o uso de uma razão molar maior de ácido acético na reação de epoxidação reduziu o rendimento de grupos epóxi. Contudo, um aumento na quantidade de peróxido levou a uma melhora tanto no índice oxirânico como no índice de iodo. Portanto, a proporção de reagentes sugerida nesse trabalho foi de 1,0 : 0,5 : 2,0 em relação ao óleo de soja, ácido acético e peróxido de hidrogênio. O equilíbrio de fases foi analisado por meio do modelo termodinâmico UNIFAC e validado por meio de dados experimentais provenientes de literatura. Nesse equilíbrio, verificou-se que o ácido acético tem mais afinidade pela fase aquosa do que a orgânica e que o efeito da temperatura foi muito pequeno sobre o coeficiente de partição, praticamente constante e igual a 0,1. Ao se estudar a reação de epoxidação simultaneamente com o equilíbrio de fases, viu-se que realmente há a formação de duas fases, o que tem potencial influência sobre a conversão da reação.
Nowadays, the epoxidation of vegetable oils is a topic discussed and studied, as it is an environmentally friendly alternative to replace petroleum-based epoxides, such as dioctyl phthalate (DOP), a plasticizer with greater consumption in the production of PVC. The epoxidation reaction is performed with peracetic acid, previously formed through the reaction of acetic acid, hydrogen peroxide and a solid catalyst, such as ion exchange resin. Industrially, a temperature controlled batch reactor is used, since the exothermic reaction can pose risks to the operation. Previous studies have not addressed the system's phase equilibrium. Therefore, this work evaluates and proposes a model for studying the phase equilibrium in the epoxidation reaction of soybean oil. The kinetic laws were taken from the literature and material balances were written for each component, in a batch system, then solving the resulting system of differential equations. The simulations showed that the use of a higher molar ratio of acetic acid in the epoxidation reaction reduced the yield of epoxy groups. However, an increase in the amount of peroxide led to an improvement in both the oxiranic index and the iodine index. Therefore, the proportion of reagents suggested in this work was 1,0: 0,5: 2,0 in relation to soybean oil, acetic acid, and hydrogen peroxide. Phase equilibrium was analyzed using the UNIFAC thermodynamic model and validated using experimental data from the literature. Simulation results indicated that acetic acid has more affinity for the aqueous phase than the organic phase and that the effect of temperature was small on the partition coefficient, practically constant and equal to 0.1. When studying the epoxidation reaction simultaneously with the phase equilibrium, it was seen that there is really the formation of two phases, which has a potential influence on the reaction conversion.
Nowadays, the epoxidation of vegetable oils is a topic discussed and studied, as it is an environmentally friendly alternative to replace petroleum-based epoxides, such as dioctyl phthalate (DOP), a plasticizer with greater consumption in the production of PVC. The epoxidation reaction is performed with peracetic acid, previously formed through the reaction of acetic acid, hydrogen peroxide and a solid catalyst, such as ion exchange resin. Industrially, a temperature controlled batch reactor is used, since the exothermic reaction can pose risks to the operation. Previous studies have not addressed the system's phase equilibrium. Therefore, this work evaluates and proposes a model for studying the phase equilibrium in the epoxidation reaction of soybean oil. The kinetic laws were taken from the literature and material balances were written for each component, in a batch system, then solving the resulting system of differential equations. The simulations showed that the use of a higher molar ratio of acetic acid in the epoxidation reaction reduced the yield of epoxy groups. However, an increase in the amount of peroxide led to an improvement in both the oxiranic index and the iodine index. Therefore, the proportion of reagents suggested in this work was 1,0: 0,5: 2,0 in relation to soybean oil, acetic acid, and hydrogen peroxide. Phase equilibrium was analyzed using the UNIFAC thermodynamic model and validated using experimental data from the literature. Simulation results indicated that acetic acid has more affinity for the aqueous phase than the organic phase and that the effect of temperature was small on the partition coefficient, practically constant and equal to 0.1. When studying the epoxidation reaction simultaneously with the phase equilibrium, it was seen that there is really the formation of two phases, which has a potential influence on the reaction conversion.