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Analyte Adsorption and Distribution01:09

Analyte Adsorption and Distribution

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In certain chromatographic separations, solutes transfer between the mobile phase and the stationary phase via sorption, which typically refers to the process of adsorption. For many chromatographic systems, the sorption process often depends on the polarity of the compounds—an expression of the overall dipole moment within the molecule. During the separation process, there is competition between the solute and solvent for adsorption to the stationary phase. Highly polar compounds and...
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Related Experiment Video

Updated: Jun 9, 2025

Microfluidic Devices for Characterizing Pore-scale Event Processes in Porous Media for Oil Recovery Applications
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Development and Application of an Advanced Percolation Model for Pore Network Characterization by Physical

Jakob Söllner1, Alexander V Neimark2, Matthias Thommes1

  • 1Institute of Thermal Separation Science (TVT), Department of Chemical and Biochemical Engineering Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU), 91058 Erlangen, Bavaria, Germany.

Langmuir : the ACS Journal of Surfaces and Colloids
|October 21, 2024
PubMed
Summary

A new pore network model enhances the textural characterization of nanoporous materials by accurately simulating adsorption-desorption isotherms. This method provides deeper insights into pore structure and disorder for applications in separations and storage.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Chemical Engineering

Background:

  • Physical adsorption is crucial for characterizing porous materials, assessing micro- and mesopores.
  • Characterizing disordered and hierarchically structured porous materials presents ongoing challenges.
  • Existing methods struggle with the complexity of adsorption hysteresis in such materials.

Purpose of the Study:

  • To introduce a novel pore network model for enhanced textural characterization of nanoporous materials.
  • To provide a unified framework for modeling the entire adsorption-desorption isotherm, including hysteresis.
  • To offer deeper insights into pore network characteristics and the impact of disorder.

Main Methods:

  • Development of a pore network model based on percolation theory on a finite-sized Bethe lattice.
  • Inclusion of all known mechanisms contributing to adsorption hysteresis (condensation, evaporation, pore blocking, cavitation).
  • Coupling the model with nonlocal-density functional theory (NL-DFT) kernels for comprehensive isotherm modeling.

Main Results:

  • The model successfully simulates adsorption-desorption isotherms and hysteresis scans for various silica materials.
  • Accurate correlation between calculated and experimental isotherms for ordered and disordered mesoporous silica.
  • Determination of key pore network characteristics like connectivity, pore size distribution, and disorder impact.

Conclusions:

  • The novel network model offers versatile and enriched textural insights for nanoporous materials.
  • It enables comprehensive characterization previously inaccessible, advancing the field.
  • The model can guide the design of porous materials for applications in separations, catalysis, and storage.