COSMO-RS Screening and Molecular Insights of Imidazolium-Based Ionic Liquids for Efficient N2O Absorption

Key Points

• N2O absorption is enhanced by specific imidazolium-based ionic liquids, boosting efficiency in environmental applications.
• COSMO-RS screening shows that lower solvation free energy correlates with better absorption performance.
• Analyzing molecular interactions provides insights into how ionic liquids can capture greenhouse gases like N2O effectively.
• Findings suggest broader environmental benefits, pointing to potential new materials for reducing atmospheric N2O levels.