PPGQUIM/CCET

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
DISCENTE: WELLINGTON DA CONCEICAO LOBATO DO NASCIMENTO
DATA: 17/11/2021
HORA: 09:30
LOCAL: Google Meet
TÍTULO: Desenvolvimento de catalisadores heterogêneos avançados para transesterificação de óleo babaçu com alfa-bisabolol
PALAVRAS-CHAVES: Transesterification; Catalysis heterogeneous; babassu oil; alpha-bisabolol alcohol, Computational chemistry.
PÁGINAS: 37
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Química
RESUMO: This work presents a study of the transesterification reaction of babassu oil with α-bisabolol, which is a tertiary unsaturated monocyclic sesquiterpenic alcohol. In the theoretical study part, were used the semiempirical method PM6 (Parametirc Method 6) and method DFT (Density Functional Theory). The methodology consists in optimize the structures of the molecules to obtain energy parameters such as: dipole moment vectors, electrostatic potential map (MESP), Infrared spectroscopy, the energy of molecular orbitals HOMO and LUMO. Through thermodynamic calculations was obtained ∆H0, ∆G0 and ∆S0 of the reactions. The transition energies of the non-catalyzed reactions were obtained by the method DFT. In the experimental part, an uncatalyzed reaction and catalyzed white alumina Al2O3, CeO2 and CeO2/Al2O3 were performed. The results showed that the CeO2/Al2O3 catalyst presented the best catalytic activity for the transesterification reaction.
MEMBROS DA BANCA:
Presidente - 1505089 - ADEILTON PEREIRA MACIEL
Interno - 2284981 - CLAUDIA QUINTINO DA ROCHA
Interno - 2583455 - JALDYR DE JESUS GOMES VARELA JUNIOR