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Correlation between hydrogen bond basicity and acetylene solubility in room temperature ionic liquids
Jelliarko Palgunadi1, Sung Yun Hong, Jin Kyu Lee
1Department of Chemistry, Kyung Hee University, Seoul, Republic of Korea.
Room temperature ionic liquids (RTILs) offer a promising solution for separating acetylene from ethylene. Acetylene solubility in RTILs is primarily governed by the anion's hydrogen-bond acceptor ability.
Area of Science:
- Chemical Engineering
- Materials Science
- Separation Science
Background:
- Naphtha cracking produces ethylene contaminated with acetylene.
- Efficient acetylene separation is crucial for ethylene purity.
- Room temperature ionic liquids (RTILs) are explored as novel solvents.
Purpose of the Study:
- Investigate acetylene solubility in RTILs.
- Correlate solubility with solvent properties using Kamlet-Taft parameters.
- Understand the molecular interactions governing acetylene absorption.
Main Methods:
- Linear solvation energy relationship (LSER) analysis.
- Kamlet-Taft solvent parameters (α, β, π*).
- Quantum mechanical calculations and thermodynamic analysis.
Main Results:
- Acetylene solubility correlates linearly with the hydrogen-bond basicity (β) of RTILs.
- Solubility is mainly influenced by the anion's hydrogen-bond acceptor (HBA) ability.
- Quantum calculations confirm hydrogen bonding between acetylene's proton and the RTIL anion.
Conclusions:
- RTILs with high HBA anions are effective for acetylene separation.
- Hydrogen bonding is the dominant interaction mechanism.
- Thermodynamic data support the correlation between β value and acetylene absorption enthalpy.
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