4.6 Article

Solvent Selection for the Separation of Lignin-Derived Monomers Using the Conductor-like Screening Model for Real Solvents

Journal

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Volume 59, Issue 16, Pages 7755-7764

Publisher

AMER CHEMICAL SOC
DOI: 10.1021/acs.iecr.9b06086

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Funding

  1. Great Lakes Bioenergy Research Center, U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research [DE-SC0018409]
  2. National Science Foundation [ACI-1548562]

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The separation of desired monomers from a liquid-phase mixture of lignin depolymerization products is necessary to facilitate their upscaling and upgrading for industrial applications. One effective method to separate multiple liquid-phase products is countercurrent chromatography (CCC), which is a common liquid chromatography technique that separates target solutes based on differences in their partitioning in a biphasic solvent system. Effective CCC separation requires the selection of solvent compositions to tune solute partition coefficients. To alleviate the experimental burden of selecting optimal solvent systems, we apply the conductor-like screening model for real solvents (COSMO-RS) method to compute partition coefficients of representative lignin monomers from four currently used depolymerization strategies in standard solvent systems. We further design new ternary and quaternary solvent systems that are predicted to further improve separation efficacy. On the basis of these predicted partition coefficients and empirical solvent selection criteria for CCC measurements, we suggest a range of solvent systems that would be suitable for the effective separation of aromatic lignin-derived products via CCC or similar liquid-liquid extraction methods.

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