| Grant number: | 21/09028-1 |
| Support Opportunities: | Scholarships in Brazil - Post-Doctoral |
| Start date: | October 01, 2021 |
| End date: | October 18, 2023 |
| Field of knowledge: | Engineering - Chemical Engineering |
| Principal Investigator: | Pedro de Alcântara Pessôa Filho |
| Grantee: | Lilian Caroline Kramer Biasi |
| Host Institution: | Escola Politécnica (EP). Universidade de São Paulo (USP). São Paulo , SP, Brazil |
| Associated research grant: | 14/21252-0 - Equilibrium and production processes of biofuels and bioproducts, AP.TEM |
Abstract The use of organic solvents in the extraction and refining of vegetable oils has gained prominence in recent years, seeking more sustainable and/or less toxic alternatives to the use of hexane. Although such solvents have been studied as substitutes for hexane over time, the extraction processes are not fully optimized. Thus, understanding the physical and thermodynamic properties of this system can help in this replacement process. Such properties can be obtained by molecular dynamics and Monte Carlo simulations. However, the application of these techniques in the simulation of lipids (fatty acids, triacylglycerols, phospholipids, etc.) is mostly focused on the health area, with a focus on the presence of these components in cell membranes, on the deposition of cholesterol, and on the interaction with drugs. The use of molecular dynamics simulation in Food Engineering is recent, but it has been gaining space, with emphasis on the study of proteins. The application of molecular dynamics in the study of lipids focusing on the extraction and refining of vegetable oils is a scarce explored subject and presents potential gains in the understanding of the process and the application of this tool in a new area. Thus, this project aims to expand the knowledge and optimization of the extraction and refining processes of vegetable oils with alternative solvents to hexane, such as bioethanol. This project advocates the use of molecular dynamics and/or Monte Carlo tools for the calculation of transport properties (viscosity and diffusivity), as well as the use of other tools for the calculation of the Gibbs energy of solute transfer, a property related to its partition in extraction processes. Such tools will contribute to the clarification and determination of the chemical balance between solvent, vegetable oils and minority compounds, elucidating interactions, and solvent + oil properties that can contribute to maximize yield and improve the quality of the extracted vegetable oil. (AU) | |
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