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Implementation and evaluation of multi-dual mode counter-current chromatography in the CUP Modeler software
Manar Alherech1, Gregg T Beckham1, Hoon Choi1
1Renewable Resources and Enabling Sciences Center, National Renewable Energy Laboratory, Golden, CO 80401, USA.
Journal of Chromatography. A
|August 13, 2025
Summary
This study introduces the CUP Modeler, an open-source tool for multi-dual mode counter-current chromatography (MDM CCC) modeling. It enhances separation of closely eluting compounds and provides insights for process design.
Area of Science:
- Chromatography
- Chemical Engineering
- Separation Science
Background:
- Counter-current chromatography (CCC) offers advantages over traditional chromatography.
- Multi-dual mode (MDM) CCC enhances separation of challenging compounds.
- Existing MDM models lack widespread experimental implementation.
Purpose of the Study:
- To develop and validate a user-friendly, open-source modeling tool for MDM CCC.
- To provide fundamental insights for optimizing MDM CCC process design.
- To enable broader adoption of liquid-liquid chromatography techniques.
Main Methods:
- Developed the cell utilized partitioning (CUP) model to incorporate MDM CCC predictions.
- Packaged the CUP model into an open-source software tool, the CUP Modeler.
- Validated the MDM CCC model using experimental separation of ethyl guaiacol and ethyl phenol.
Main Results:
- The CUP Modeler accurately predicts MDM CCC performance.
- Identified optimal distribution ratios for MDM separation between 1.1 and 1.5.
- Revealed key parameter effects on separation yield, productivity, and purity.
Conclusions:
- The CUP Modeler facilitates improved MDM CCC process design.
- This tool aids in the separation of co-eluting compounds, such as lignin monomers.
- The open-source nature promotes wider application of advanced CCC techniques.
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