Experimental and Computational Studies of the Adsorption of Furan, Pyrrole, and Thiophene on Hydroxyapatites in a Single and Ternary Component
AUTOR(ES)
Oliveira, Mayara S.
FONTE
J. Braz. Chem. Soc.
DATA DE PUBLICAÇÃO
24/10/2019
RESUMO
Non-doped (Hap) and doped hydroxyapatites with Cu2+ and Fe2+ were synthesized and used to study the adsorption of furan (Fur), pyrrole (Pyr), and thiophene (Thi) in single and ternary component systems. Spectroscopic data and N2 isotherms indicated there were no structural alterations in Hap with the incorporation of Cu2+ and Fe2+. For both single and ternary components, the incorporation of the metal ions resulted in an adsorption increment consistent with the hard-soft acid-base concept. When comparing the systems, there is an inversion with Thi (5.41 mg g-1) and Fur (5.51 mg g-1) being the most adsorbed species in the single and ternary components, respectively. Monte Carlo simulations helped explain the observed experimental trends. While the electrostatic effect seems to prevail in the single system, in the ternary one the mass transport phenomenon is also operative implying greater availability of Fur on surface leading to its higher adsorption efficiency.
Documentos Relacionados
- A Comparative Study of the in Vitro Bacteriostatic Action of Some Simple Derivatives of Furan, Thiophene, and Pyrrole
- Experimental and theoretical research on catalytic synthesis of thiophene from furan and H2S
- Experimental and Theoretical Studies of Volatile Corrosion Inhibitors Adsorption on Zinc Electrode
- Molecular cloning and sequence of the thdF gene, which is involved in thiophene and furan oxidation by Escherichia coli.
- CHLORDECONE ADSORPTION ON FUNCTIONALIZED ACTIVATED CARBONS: COMPUTATIONAL CHEMISTRY AS A TOOL FOR UNDERSTANDING THE ADSORPTION PROCESS