Effect of anion on CO2 capture in PVC–g–P[VBIm][X] ionomers: experimental and density functional theory studies

Ionic liquids have received special attention as CO 2 adsorbents from natural gas. This article has investigated the adsorption of CO 2 onto three polyvinyl chloride–ionic liquid ionomers (polyvinyl chloride–1–vinyl–3–butyilimidazolium bromide, PVC–g–P[VBIm][Br]; polyvinyl chloride–1–vinyl–3–butyili...

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Bibliographic Details
Published in:Journal of polymer research 2021-05, Vol.28 (5), Article 164
Main Authors: Noorani, Narmin, Mehrdad, Abbas
Format: Article
Language:English
Subjects:
Adsorption
Anions
Carbon dioxide
Carbon sequestration
Characterization and Evaluation of Materials
Chemistry
Chemistry and Materials Science
Density functional theory
Industrial Chemistry/Chemical Engineering
Ionic liquids
Ionomers
Ions
Mathematical models
Microbalances
Natural gas industry
Original Paper
Parameters
Polymer Sciences
Polyvinyl chloride
Quartz crystals
Thiocyanates
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Summary:Ionic liquids have received special attention as CO 2 adsorbents from natural gas. This article has investigated the adsorption of CO 2 onto three polyvinyl chloride–ionic liquid ionomers (polyvinyl chloride–1–vinyl–3–butyilimidazolium bromide, PVC–g–P[VBIm][Br]; polyvinyl chloride–1–vinyl–3–butyilimidazolium thiocyanate, PVC–g–P[VBIm][SCN]; polyvinyl chloride–1–vinyl–3–butyilimidazolium tetrafluoroborate, PVC–g–P[VBIm][BF 4 ]) using quartz crystal microbalance (QCM) at various temperatures and pressures. The non-linear pseudo-second-order model was used to obtain the CO 2 adsorption kinetic parameters. The thermodynamic parameters of CO 2 adsorption were evaluated by fitting the experimental adsorption data with the dual-mode model. The obtained thermodynamic and kinetic parameters indicated that CO 2 adsorption had exothermic and physisorption nature. The PVC–g–P [VBIm][SCN] ionomer had a better performance in adsorbing the carbon dioxide gas. The density functional theory (DFT) method was also employed to confirm adsorption energy of CO 2 onto three polyvinyl chloride–ionic liquid ionomers with different anions.
ISSN:1022-9760
1572-8935
DOI:10.1007/s10965-021-02520-2