Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation
Green Deep Eutectic Solvents (DESs) are considered here as an alternative to conventional organic solvents and ionic liquids (IL) for the extraction of phenolic compounds from pyrolysis oil. Although ionic liquids have shown a promising future in extraction processes, DESs possess not only most of t...
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my.um.eprints.407392023-11-14T01:47:47Z http://eprints.um.edu.my/40739/ Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation Hizaddin, Hanee Farzana Wazeer, Irfan Huzaimi, Nur Afrina Muhammad El Blidi, Lahssen Hashim, Mohd Ali Leveque, Jean-Marc Hadj-Kali, Mohamed K. TP Chemical technology Green Deep Eutectic Solvents (DESs) are considered here as an alternative to conventional organic solvents and ionic liquids (IL) for the extraction of phenolic compounds from pyrolysis oil. Although ionic liquids have shown a promising future in extraction processes, DESs possess not only most of their remarkable physico-chemical properties, but are also cheaper, easier to prepare and non-toxic, increasing the infatuation with these new moieties to the detriment of ionic liquids. In this work, phenol was selected as a representative of phenolic compounds, and toluene and heptane were used to model the pyrolysis oil. COSMO-RS was used to investigate the interaction between the considered Dess, phenol, n-heptane, and toluene. Two DESs (one ammonium and one phosphonium based) were subsequently used for experimental liquid-liquid extraction. A ternary liquid-liquid equilibrium (LLE) experiment was conducted with different feed concentrations of phenol ranging from 5 to 25 wt% in model oil at 25 degrees C and at atmospheric pressure. Although both DESs were able to extract phenol from model pyrolysis oil with high distribution ratios, the results showed that ammonium-based DES was more efficient than the phosphonium-based one. The composition of phenol in the raffinate and extract phases was determined using gas chromatography. A similar trend was observed by the COSMO-RS screening for the two DESs. MDPI 2022-11 Article PeerReviewed Hizaddin, Hanee Farzana and Wazeer, Irfan and Huzaimi, Nur Afrina Muhammad and El Blidi, Lahssen and Hashim, Mohd Ali and Leveque, Jean-Marc and Hadj-Kali, Mohamed K. (2022) Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation. Separations, 9 (11). ISSN 2297-8739, DOI https://doi.org/10.3390/separations9110336 <https://doi.org/10.3390/separations9110336>. 10.3390/separations9110336 |
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TP Chemical technology Hizaddin, Hanee Farzana Wazeer, Irfan Huzaimi, Nur Afrina Muhammad El Blidi, Lahssen Hashim, Mohd Ali Leveque, Jean-Marc Hadj-Kali, Mohamed K. Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation |
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Green Deep Eutectic Solvents (DESs) are considered here as an alternative to conventional organic solvents and ionic liquids (IL) for the extraction of phenolic compounds from pyrolysis oil. Although ionic liquids have shown a promising future in extraction processes, DESs possess not only most of their remarkable physico-chemical properties, but are also cheaper, easier to prepare and non-toxic, increasing the infatuation with these new moieties to the detriment of ionic liquids. In this work, phenol was selected as a representative of phenolic compounds, and toluene and heptane were used to model the pyrolysis oil. COSMO-RS was used to investigate the interaction between the considered Dess, phenol, n-heptane, and toluene. Two DESs (one ammonium and one phosphonium based) were subsequently used for experimental liquid-liquid extraction. A ternary liquid-liquid equilibrium (LLE) experiment was conducted with different feed concentrations of phenol ranging from 5 to 25 wt% in model oil at 25 degrees C and at atmospheric pressure. Although both DESs were able to extract phenol from model pyrolysis oil with high distribution ratios, the results showed that ammonium-based DES was more efficient than the phosphonium-based one. The composition of phenol in the raffinate and extract phases was determined using gas chromatography. A similar trend was observed by the COSMO-RS screening for the two DESs. |
format |
Article |
author |
Hizaddin, Hanee Farzana Wazeer, Irfan Huzaimi, Nur Afrina Muhammad El Blidi, Lahssen Hashim, Mohd Ali Leveque, Jean-Marc Hadj-Kali, Mohamed K. |
author_facet |
Hizaddin, Hanee Farzana Wazeer, Irfan Huzaimi, Nur Afrina Muhammad El Blidi, Lahssen Hashim, Mohd Ali Leveque, Jean-Marc Hadj-Kali, Mohamed K. |
author_sort |
Hizaddin, Hanee Farzana |
title |
Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation |
title_short |
Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation |
title_full |
Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation |
title_fullStr |
Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation |
title_full_unstemmed |
Extraction of phenolic compound from model pyrolysis oil using Deep Eutectic Solvents: Computational screening and experimental validation |
title_sort |
extraction of phenolic compound from model pyrolysis oil using deep eutectic solvents: computational screening and experimental validation |
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MDPI |
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2022 |
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http://eprints.um.edu.my/40739/ |
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1783876711861977088 |
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13.18916 |