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Nonlinear liquid-liquid chromatography: Modeling a binary mixture separation.

Melanie Gerigk1, Fabian Börner1, Simon Vlad Luca1

  • 1Biothermodynamics, TUM School of Life Sciences, Technical University of Munich, 85354 Freising, Germany.

Journal of Chromatography. A
|September 18, 2023
PubMed
Summary
This summary is machine-generated.

This study presents a simple method to accurately model nonlinear liquid-liquid chromatography (LLC) separations, crucial for optimizing cannabinoid (CBD and CBG) purification. The approach uses experimental data to predict mixture behavior, improving process design for complex separations.

Keywords:
CannabidiolCannabigerolCentrifugal partition chromatographyCountercurrent chromatographyPartition equilibria

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Area of Science:

  • Chemical Engineering
  • Separation Science
  • Chromatography

Background:

  • Liquid-liquid chromatography (LLC) separations are typically modeled assuming concentration-independent solute distribution.
  • Nonlinear distribution equilibria, where solute distribution depends on concentration, pose challenges for accurate LLC modeling and process design.
  • Experimental determination of multicomponent liquid-liquid equilibria is time-intensive and thermodynamic predictions are often inaccurate.

Purpose of the Study:

  • To develop and validate a simple, accurate approach for modeling and simulating nonlinear (concentration-dependent) LLC separations.
  • To estimate distribution equilibrium parameters for cannabidiol (CBD) and cannabigerol (CBG) in a specific solvent system.
  • To predict the elution profiles of binary CBD/CBG mixtures using the developed model.

Main Methods:

  • Utilized an inverse method to estimate distribution equilibrium equation parameters from single-solute pulse injection experiments.
  • Covered concentration ranges from 1-100 mg/mL for CBD and 1-50 mg/mL for CBG.
  • Validated the model by predicting elution profiles of binary CBD/CBG mixtures at 40 mg/mL total cannabinoid concentration using n-hexane/methanol/water (10/7.5/2.5 v/v/v).

Main Results:

  • Successfully estimated concentration-dependent distribution equilibrium parameters for CBD and CBG.
  • Demonstrated accurate prediction of elution profiles for binary CBD/CBG mixtures.
  • Validated the proposed modeling approach for the specific biphasic solvent system.

Conclusions:

  • The proposed simple approach effectively models and simulates nonlinear LLC separations.
  • The method provides accurate predictions for cannabinoid mixtures, aiding in process design.
  • Applicability is system-dependent and requires individual evaluation for each separation task.