Theoretical-Experimental Study of the Effect of PH and Ionic Strength for the Adsorption of Paracetamol in Silica

Authors

  • Andrés Diaz Compañy Universidad Tecnológica Nacional, Facultad Regional Bahía Blanca. Bahía Blanca, Argentina. & Comisión de Investigaciones Científicas. La Plata, Argentina.
  • Gabriel Roman Universidad Tecnológica Nacional, Facultad Regional Bahía Blanca. Bahía Blanca, Argentina. & Universidad Nacional del Sur, Departamento de Física, Instituto de Física del Sur & CONICET. Bahía Blanca, Argentina.
  • Emilia Noseda Grau Universidad Tecnológica Nacional, Facultad Regional Bahía Blanca. Bahía Blanca, Argentina. & Universidad Nacional del Sur, Departamento de Física, Instituto de Física del Sur & CONICET. Bahía Blanca, Argentina.
  • Agustín Spaltro CEQUINOR (CONICET-CCT La Plata, UNLP). La Plata, Argentina.
  • Matías Pila CEDECOR (UNLP-CICBA), CONICET, Universidad Nacional de La Plata, Facultad de Ciencias Exactas, Departamento de Química. La Plata, Argentina.
  • Diego Colasurdo CEDECOR (UNLP-CICBA), CONICET, Universidad Nacional de La Plata, Facultad de Ciencias Exactas, Departamento de Química. La Plata, Argentina.
  • Sandra Simonetti Universidad Tecnológica Nacional, Facultad Regional Bahía Blanca. Bahía Blanca, Argentina. & Universidad Nacional del Sur, Departamento de Física, Instituto de Física del Sur & CONICET. Bahía Blanca, Argentina.
  • Danila Ruiz CEDECOR (UNLP-CICBA), CONICET, Universidad Nacional de La Plata, Facultad de Ciencias Exactas, Departamento de Química. La Plata, Argentina.

DOI:

https://doi.org/10.70567/mc.v41i22.115

Keywords:

Paracetamol, silica, adsorption, DFT

Abstract

In this work we study the adsorption of the drug paracetamol in acidic, neutral and basic media, in a commercial silica gel adsorbent. Equilibrium isotherms for paracetamol are obtained and the results are discussed in relation to the physicochemical properties of the adsorbent and to the properties of the solution, such as pH and ionic strength. In general, the Langmuir model provides the best fit to the adsorption data. The removal efficiency was considerable for silica gel. The adsorption kinetics follow a pseudo-second-order model with a correlation coefficient (R^2) of 0.99. Calculations based on Density Functional Theory (DFT) provide atomistic details that complement the studies.

References

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Published

2024-11-08

Issue

Vol. 41 No. 22 (2024): Surface and Interphase Modelling

Section

Conference Papers in MECOM 2024

License

Copyright (c) 2024 Argentine Association for Computational Mechanics

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