Desenvolvimento de modelos mecanísticos via CFD: análise dos fenômenos de transporte para fins de biosseparação em matrizes cromatográficas monolíticas

• Ano de defesa: 2021
• Autor(a) principal: Coimbra, Jamille Coelho
• Tipo de documento: Tese
• Tipo de acesso: Acesso aberto
• Idioma: eng
• Instituição de defesa: Universidade Federal de Viçosa; Ciência e Tecnologia de Alimentos
• Palavras-chave em Português: Análise cromatográfica; Fluidodinâmica computacional; Criogéis; Ciência e Tecnologia de Alimentos
• Link de acesso: https://locus.ufv.br//handle/123456789/30071

Many studies have been developed concerning the preparation, modification and characterization of monolithic macroporous matrices. On the other hand, the investigation of transport phenomena in these matrices remains little explored. In this sense, the area of mathematical modeling offers alternatives to better understand the processes at the micro and macro level in these matrices. In the field of preparative chromatography, the geometrical and structural characteristics of the monolithic medium have a significant effect on transport properties, but few studies incorporate such characteristics in mathematical models to improve predictions. This work proposed to develop mathematical models, via computational fluid dynamics (CFD), that are able to predict different process scenarios and enable more assertive decision making for bioseparation purposes. The chromatographic support analyzed was the spongy, macroporous, highly interconnected polymeric matrix known as cryogel. These adsorbents offer low resistance to mass transfer and advection tends to be predominant. In order to better evaluate these mechanisms, the approach adopted here combines simultaneous mass transfer and fluid dynamics by coupling the momentum conservation laws into the mass conservation model. In all the proposed models of this thesis, a predominance of advection is perceived, through the scale analysis, represented by the Péclet's dimensionless number. Furthermore, it can be seen that the adsorption process is sensitive to changes in the velocity profiles, which are affected by the geometry of the porous medium. In parallel, the geometry of the monolithic medium influences the acceleration, vorticity, and deceleration profiles of the flow, which can promote different responses to the mass transfer process. New proposals for representative geometry of monolithic porous media have been encouraged for some years, although few applications are attributed to cryogels. Therefore, the thesis presents strategies for studying and evaluating transport phenomena in macroporous cryogels through mechanistic modeling using simplified representations of the monolithic network. Keywords: Mathematical modeling. Cryogel. Monolithic network. Transport phenomena. Cromatography. Computational Fluid Dynamics (CFD).