Busca avançada
Ano de início
Entree
(Referência obtida automaticamente do Web of Science, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores.)

Modeling the Effect of Cross-Link Density on Resins Catalytic Activities

Texto completo
Autor(es):
Aguiar, Leandro G. [1] ; Godoy, William M. [1] ; Napolis, Leonardo [1] ; Faria, V, Rui P. ; Rodrigues, Alirio E. [2]
Número total de Autores: 5
Afiliação do(s) autor(es):
[1] Univ Sao Paulo, Dept Engn Quim, Escola Engn Lorena, BR-12602810 Lorena, SP - Brazil
[2] Faria, Rui P., V, Univ Porto, LSRE Fac Engn, P-4200456 Porto - Portugal
Número total de Afiliações: 2
Tipo de documento: Artigo Científico
Fonte: Industrial & Engineering Chemistry Research; v. 60, n. 17, p. 6101-6110, MAY 5 2021.
Citações Web of Science: 0
Resumo

Two mathematical models were coupled to quantitatively assess the effect of cross-link density on the catalytic activity of sulfonated styrene-divinylbenzene (DVB) resins: (I) a copolymerization model comprised of the mass balances of species and sequences, which is used to quantify inaccessible catalytic sites, and (II) a second-order pseudohomogeneous kinetic model to describe the catalyzed reactions. The fraction of inaccessible sites ranged from 10% to 72% of the total sites for resins with 4% and 20% DVB, respectively. It was found that chain segments with six or less monomer units between cross-links contain inaccessible sites for the catalyzed reactions studied herein. The mathematical approach was validated with 53 catalysis experiments from the literature and provided good agreements. A linear correlation for the fraction of inaccessible sites as a function of sequences distribution was proposed and validated, providing R-2 = 0.992. These results can represent a valuable tool to improve the performance of styrene-DVB-based catalysts. (AU)

Processo FAPESP: 17/26985-4 - Conversão do glicerol catalisada por estireno-co-dimetacrilato sulfonado: experimentos e modelagem matemática
Beneficiário:Leandro Gonçalves de Aguiar
Modalidade de apoio: Auxílio à Pesquisa - Regular