Quantum chemical screening of eutectic solvent components for insights into CO 2 complexation mechanisms

Vicchio, Stephen P. [Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634-0909, USA] (ORCID:0000000284061198); Ikponmwosa, Osasumwen J. [William G. Lowrie Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, OH 43210, USA] (ORCID:0009000831617931); Getman, Rachel B. [Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634-0909, USA, William G. Lowrie Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, OH 43210, USA] (ORCID:0000000307550534)

doi:10.1039/d5me00034c

DOE OSTI · 2566003

Quantum chemical screening of eutectic solvent components for insights into CO 2 complexation mechanisms

Vicchio, Stephen P. [Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634-0909, USA] (ORCID:0000000284061198)·Ikponmwosa, Osasumwen J. [William G. Lowrie Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, OH 43210, USA] (ORCID:0009000831617931)·Getman, Rachel B. [Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634-0909, USA, William G. Lowrie Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, OH 43210, USA] (ORCID:0000000307550534)

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Abstract

Different eutectic solvent components are simulated to understand the thermodynamics associated with the different, potential CO 2 complexation pathways.

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Vicchio, Stephen P. [Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634-0909, USA] (ORCID:0000000284061198), Ikponmwosa, Osasumwen J. [William G. Lowrie Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, OH 43210, USA] (ORCID:0009000831617931), Getman, Rachel B. [Department of Chemical and Biomolecular Engineering, Clemson University, Clemson, South Carolina 29634-0909, USA, William G. Lowrie Department of Chemical and Biomolecular Engineering, Ohio State University, Columbus, OH 43210, USA] (ORCID:0000000307550534). 2025-01-01. Quantum chemical screening of eutectic solvent components for insights into CO 2 complexation mechanisms. https://doi.org/10.1039/d5me00034c

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