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Thermodynamic evaluation and systematic screening of ionic liquids toward efficient fluorinated refrigerant absorption
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DOI：10.1016/j.gce.2026.04.003.png)
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Abstract
En 中文
• A comprehensive COSMO-RS evaluation is conducted with 3853 FR-in-IL solubility data • Simple linear correction is applied to greatly improve COSMO-RS predictive accuracy • Systematic screening is performed to identify top promising ILs for R-134a capture • Absorption mechanism is revealed by quantum chemistry calculation and MD simulation
Keywords:
Fluorinated refrigerants
Ionic liquids
COSMO-RS
Solvent screening
Absorption mechanism
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