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SCIENTIFIC HIGHLIGHTS 2022

Predicting CO2 solubility in aqueous and organic electrolyte solutions with ePC -SAFT advanced

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CO2 solubility is predicted, and solvent-specific and ion-specific effects are evaluated

CO2 solubility in aqueous and organic electrolyte solutions is of special interest for carbon capture and storage (CCS)
or utilization (CCU) processes. Unfortunately, the experimental determination at such conditions is rather laborious.
Therefore, the ion-based model ePC-SAFT advanced was used in this work to predict the CO2 solubility in such systems. We
found that the model predictions were accurate. For the first time the salt effect on CO2 solubility was predicted without
the use of parameters that correlate the ion-CO2 interactions. The mixtures under investigation were binary systems of
CO2 + solvent and higher systems comprised of water + organic solvent + salt (NaCl, KCl, CsCl, MgCl2, CaCl2, NaNO3, KNO3,
Mg(NO3)2, Ca(NO3)2, Na2SO4, K2SO4, MgSO4, NaHCO3, and K2CO3).