Selective SO2 absorption using phosphonium carboxylate ionic liquids
Abstract
The properties and performance of absorbents for sulfur dioxide based on phosphonium carboxylateionic liquids are tuned via the basicity of the anions. The SO2 absorption capacity is reported attemperatures in the range 303–343 K up to pressures of approximately 1 bar, revealing a combina-tion of thermodynamically favoured physical and chemical absorption mechanisms. The reactionproducts were characterized by infrared and NMR spectroscopy. Surprisingly, both the basicity ofthe carboxylate anion and the length of the alkyl chains of the phosphonium cation have minimalimpact on the total SO2 uptake, but they are crucial for reversibility and also to reach a highselectivity of SO2 over CO2. Computational chemistry calculations support the favorable thermo-dynamics of the chemical reaction between the anion and SO2. Molecular dynamics simulationsshow that the SO2 solvation was not impacted by changes in anion basicity or cation size.
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BibTeX
@article{scaglione2026selective,
title = {{Selective SO2 absorption using phosphonium carboxylate ionic liquids}},
author = {Nicolas Scaglione and Agilio A.H. Padua and Margarida Costa Gomes},
journal = {Fluid Phase Equilibria},
year = {2026},
month = oct,
doi = {10.1016/j.fluid.2026.114687},
url = {https://hal.science/hal-05783614v1},
note = {CC BY},
}
RIS
TY - JOUR
TI - Selective SO2 absorption using phosphonium carboxylate ionic liquids
AU - Nicolas Scaglione
AU - Agilio A.H. Padua
AU - Margarida Costa Gomes
PY - 2026
DA - 2026/10/07
JO - Fluid Phase Equilibria
DO - 10.1016/j.fluid.2026.114687
UR - https://hal.science/hal-05783614v1
AB - The properties and performance of absorbents for sulfur dioxide based on phosphonium carboxylateionic liquids are tuned via the basicity of the anions. The SO2 absorption capacity is reported attemperatures in the range 303–343 K up to pressures of approximately 1 bar, revealing a combina-tion of thermodynamically favoured physical and chemical absorption mechanisms. The reactionproducts were characterized by infrared and NMR spectroscopy. Surprisingly, both the basicity ofthe carboxylate anion and the length of the alkyl chains of the phosphonium cation have minimalimpact on the total SO2 uptake, but they are crucial for reversibility and also to reach a highselectivity of SO2 over CO2. Computational chemistry calculations support the favorable thermo-dynamics of the chemical reaction between the anion and SO2. Molecular dynamics simulationsshow that the SO2 solvation was not impacted by changes in anion basicity or cation size.
SN - 0378-3812
ER -