Rational design of efficient deep eutectic solvents for HCl absorption through their competitive H-bonding interactions

• DOI: 10.1039/d2cp03418b
• Publication Date: 2022-10-14T01:41:21Z
• Authors: Lin Feng; Shuyi Li; Chunxi Li; Hong Meng; Yingzhou Lu; Hongwei Fan
• Keywords: Rational design; Deep eutectic solvent

The design of an efficient absorbent is the premise for recovery and resource utilization hydrogen chloride (HCl) from its industrial tail gases. Herein, a series 1-butyl-3-methylimidazolium (BmimCl) based-deep eutectic solvents (DESs) were designed solubility behavior HCl was studied in terms their structure, basicity, free volume, intermolecular interaction energy, absorption enthalpy. relationship between energy phase change dissolution process explored detail. BmimCl-TAA (thioacetamide) (1 : 1) shows high reversible due to suitable enthalpy, closer H-bonding (HB) interactions BmimCl TAA or HCl. mechanism dynamic evolution HB network verified by FT-IR NMR spectra quantum chemical calculations. results show that it competitive promotes HCl, reduces renders absorption. Compared with BmimCl, enthalpy reduced 25% increased 150%. as 0.51 g g-1 (1.76 mol mol-1) at 303.15 K 101.3 kPa, can be regenerated facilely heating under pressure. This work provides new insights into rational DES other polar