Absorption of dichloromethane by sulfolane-based non-ionic eutectic solvents: Experimental study and quantum chemical calculations

被引:0
作者
Li, Sisi [1 ]
Zhang, Liyan [2 ]
Wang, Li [1 ]
Jin, Zekai [1 ]
Chen, Meisi [1 ]
Chen, Muhua [1 ]
Zhu, Xinbao [1 ]
Zhang, Gang [1 ]
Cai, Zhengchun [1 ]
Fu, Bo [1 ]
机构
[1] Nanjing Forestry Univ, Coll Chem Engn, Jiangsu Coinnovat Ctr Efficient Proc & Utilizat Fo, Jiangsu Prov Key Lab Chem & Utilizat Agroforest Bi, Nanjing 210037, Peoples R China
[2] Univ Massachusetts Amherst, Dept Mech Engn, Amherst, MA 01003 USA
基金
中国国家自然科学基金;
关键词
Dichloromethane; Non-ionic deep eutectic solvent; Quantum chemical calculations; Absorption mechanism; VOLATILE ORGANIC-COMPOUNDS; HYDROGEN-BOND DONORS; LEVULINIC ACID; CO2; CAPTURE; CHLORIDE; ENERGY; WATER;
D O I
10.1016/j.seppur.2025.132331
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
This study investigates the efficacy of four novel sulfolane-based non-ionic deep eutectic solvents (DESs) for dichloromethane (DCM) absorption. Key physicochemical properties including density, viscosity, and DCM absorption capacity were determined. Notably, Sulfolane-Diethylene glycol butyl ether (SUL-DGBE) (1:3) exhibited optimal fluidity (viscosity = 7.9 mPa & sdot;s at 298.15 K) and superior DCM absorption capacity (Henry's law constant = 10.51 kPa at 298.15 K). Thermal stability and molecular structure of the DESs were characterized via thermogravimetric analysis and infrared spectroscopy. Packed tower experiments demonstrated that SUL-DGBE (1:3) achieved the highest DCM absorption efficiency (93.9 % at 298.15 K) and maintained a robust performance (90.8 % efficiency) after ten regeneration cycles. Quantum chemical (QC) calculations elucidated the molecular mechanism of DCM absorption by the DESs, revealing the contributions of hydrogen bonding and van der Waals interactions. The correlation between electrostatic interactions and hydrogen bond strength was further explored. This work provides valuable insights into the application of DESs for DCM remediation.
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页数:9
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