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Predicting intraparticle diffusivity as function of stationary phase characteristics in preparative chromatography.

A Schultze-Jena1, M A Boon2, D A M de Winter3

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Understanding diffusion in porous materials is crucial for chromatography. This study relates molecular diffusion within stationary phases to their properties, improving predictive models for better process design in food and bio-processing.

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Intraparticle diffusivityParallel pore modelPorosityPreparative chromatography

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Area of Science:

  • Chemical Engineering
  • Separation Science
  • Materials Science

Background:

  • Diffusion within porous materials is a critical factor in chromatographic separations.
  • Accurate modeling of intraparticle diffusion is essential for optimizing processes in food and bio-processing.
  • Understanding the relationship between molecular diffusion and stationary phase properties is key for process design.

Purpose of the Study:

  • To establish a relationship between intraparticle diffusion and the properties of stationary phases and diffusing molecules.
  • To evaluate the predictive capabilities of existing diffusion models.
  • To develop an improved model for predicting intraparticle diffusion.

Main Methods:

  • Determined intraparticle diffusivities for eight small molecules across nine stationary phases.
  • Analyzed stationary phases for porosity, pore size distribution, and tortuosity.
  • Compared experimental data with Mackie and Meares correlation and parallel pore model predictions.

Main Results:

  • The parallel pore model offered insights but had limited predictive accuracy due to experimental parameter determination challenges.
  • The Mackie and Meares model showed improved prediction accuracy when combined with the accessible pore volume fraction.
  • Accessible pore volume fraction was successfully determined using inverse size exclusion chromatography.

Conclusions:

  • The developed model, integrating accessible pore volume, enhances the prediction of intraparticle diffusion.
  • Further research is needed to validate the model for wider accessible pore fractions and higher diffusion coefficients.
  • The study provides a valuable database for advancing the understanding of diffusion in chromatographic materials.