Selective Phenolics Recovery from Aqueous Residues of Pyrolysis Oil through Computationally Designed Green Solvent

Amna Qaisar, Lorenzo Bartolucci, Rocco Cancelliere, Nishanth G. Chemmangattuvalappil, Pietro Mele (), Laura Micheli and Elisa Paialunga
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Amna Qaisar: Department of Chemical & Environmental Engineering, University of Nottingham Malaysia, Jalan Broga, Semenyih 43500, Malaysia
Lorenzo Bartolucci: Department of Industrial Engineering, Tor Vergata University of Rome, Via del Politecnico 1, 00133 Rome, Italy
Rocco Cancelliere: Department of Chemical Science and Technologies, Tor Vergata University of Rome, Via Della Ricerca Scientifica 1, 00133 Rome, Italy
Nishanth G. Chemmangattuvalappil: Department of Chemical & Environmental Engineering, University of Nottingham Malaysia, Jalan Broga, Semenyih 43500, Malaysia
Pietro Mele: Department of Industrial Engineering, Tor Vergata University of Rome, Via del Politecnico 1, 00133 Rome, Italy
Laura Micheli: Department of Chemical Science and Technologies, Tor Vergata University of Rome, Via Della Ricerca Scientifica 1, 00133 Rome, Italy
Elisa Paialunga: Department of Chemical Science and Technologies, Tor Vergata University of Rome, Via Della Ricerca Scientifica 1, 00133 Rome, Italy

Sustainability, 2024, vol. 16, issue 17, 1-19

Abstract: Leveraging advanced computational techniques, this study introduces an innovative hybrid computational-experimental approach for the recovery of hydroquinone and p-benzoquinone from the aqueous residue of pyrolysis oil derived from spent coffee grounds, offering a sustainable pathway for value-added chemicals recovery. A screw-type reactor operating within the temperature range of 450–550 °C was utilized for the conversion of spent coffee grounds into pyrolysis oil. A comprehensive characterization of the bio-oil was conducted using gas chromatography–mass spectroscopy (GC–MS) and high-performance liquid chromatography (HPLC), revealing hydroquinone and benzoquinone as the predominant phenolic compounds. Employing computer-aided molecular design (CAMD), we identified 1-propanol as an optimal green solvent for the selective extraction of quinones, offering superior process efficiency and economic viability. Notably, the extraction efficiency achieved for hydroquinone and p-benzoquinone reached up to 23.38 g/L and 14.39 g/L, respectively, from the aqueous fraction of pyrolysis oil at 550 °C, with an extraction time of 1 h. Techno-economic analysis indicated a robust rate of return of 20% and a payback period of 1.1 years for the separation process. This study underscores the critical role of a hybrid experimental-modelling approach in developing sustainable processes for the valorization of biowaste into valuable materials.

Keywords: pyrolysis; bio-refinery; chemicals recovery; computer-aided molecular design; quinones (search for similar items in EconPapers)
JEL-codes: O13 Q Q0 Q2 Q3 Q5 Q56 (search for similar items in EconPapers)
Date: 2024
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