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First order approximation for coupled film and intraparticle pore diffusion to model sorption/desorption batch

Binlong Liu1, Michael Finkel1, Peter Grathwohl1

  • 1Center for Applied Geoscience, University of Tübingen, Schnarrenbergstraße 94-96, Tübingen 72076, Germany.

Journal of Hazardous Materials
|March 3, 2022
PubMed
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A new approximation models hazardous compound sorption/desorption kinetics in batch experiments, simplifying complex diffusion calculations. This method aids in understanding mass transfer and planning experiments effectively.

Keywords:
Hazardous substancesMass transferPorous materialsSorption/desorption kinetics

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Area of Science:

  • Environmental Science
  • Chemical Engineering
  • Physical Chemistry

Background:

  • Sorption/desorption kinetics are crucial for understanding contaminant transport in environmental systems.
  • Accurate modeling of these processes is essential for effective remediation strategies.
  • Existing analytical solutions often involve complex infinite series expansions.

Purpose of the Study:

  • To develop a simplified first-order approximation for modeling sorption/desorption kinetics.
  • To accurately account for the shift in mass transfer from film to intraparticle diffusion.
  • To provide a practical tool for analyzing mass transfer resistances and planning batch experiments.

Main Methods:

  • Derived a first-order approximation based on a coupled film and intraparticle diffusion model.
  • Compared the approximation with analytical solutions in Laplace space.
  • Validated the model for fractional mass uptakes from 50% to 91%.

Main Results:

  • The approximation accurately replaces infinite series expansions for intraparticle diffusion.
  • It accounts for the transition of mass transfer control from the external film to the particle's pore space.
  • The model shows that higher distribution coefficients (Kd) and porosity (ε), or lower Sherwood numbers (Sh), delay this mass transfer shift.

Conclusions:

  • The developed first-order approximation offers a simpler yet accurate method for modeling sorption/desorption kinetics.
  • This approach facilitates the analysis of mass transfer limitations and characteristic times in batch experiments.
  • The findings are relevant for optimizing experimental design and interpreting results in environmental remediation studies.