Molecular-level investigation of CO 2 absorption in deep eutectic solvents using molecular dynamics simulations and the COSMO-RS model

RSC Advances 2026 Open access

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Authors: Prateek Banerjee, Surya S Urs, Rima Biswas
DOI: 10.1039/d6ra04027f
Cited by: 1
References: 60

Abstract

In this work, molecular dynamics simulations and the COSMO-RS model were employed to investigate the CO 2 absorption behavior of ChCl-based DESs, providing microscopic insights into the interactions governing gas capture.

Fields of Study & Subjects

Carbon Dioxide Capture Technologies Ionic liquids properties and applications Carbon dioxide utilization in catalysis

Publication details

Journal / source
RSC Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
16
Issue
35
Pages
36212–36225
Publication date
1 January 2026
Language
EN