4.6 Article

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

期刊

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
卷 60, 期 17, 页码 6101-6110

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AMER CHEMICAL SOC
DOI: 10.1021/acs.iecr.1c00695

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资金

  1. FAPESP [2017/26985-4]
  2. CAPES [001]
  3. Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP) [17/26985-4] Funding Source: FAPESP

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Two mathematical models were used to quantitatively assess the effect of cross-link density on the catalytic activity of sulfonated styrene-divinylbenzene (DVB) resins, showing that chain segments with six or less monomer units between cross-links contain inaccessible sites for the catalyzed reactions.
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.

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