Selected pharmaceuticals removal using algae derived porous carbon: experimental, modeling and DFT theoretical insights

Ouasfi, Nadia; Zbair, Mohamed; Bouzikri, Said; Anfar, Zakaria; Bensitel, M.; Ahsaine, Hassan Ait; Sabbar, Elmouloudi; Khamliche, Layachi

doi:10.1039/c9ra01086f

Cited by 51 publications

(20 citation statements)

References 94 publications

(76 reference statements)

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“…Therefore, the pseudo‐second‐order kinetic model was a more suitable model for the adsorption of aspirin using Cs/MCM‐41‐APS NC. [ 36–39 ] In the related literature, kinetic results were reported for the adsorption kinetic of various water pollutants by organic, [ 40 ] inorganic, [ 41 ] and composite [ 42 ] adsorbents, which are compared with the results of present study.…”

Section: Resultsmentioning

confidence: 87%

Synthesis of chitosan and amine functionalized MCM‐41 nanocomposite for the removal of acetylsalicylic acid from water using central composite design

Moradpour

Sedaghat

Azar

et al. 2021

Applied Organom Chemis

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In this study, the synthesis of the mesoporous mobile composite material No. 41 (MCM-41) modified with 3-aminopropyltriethoxysilane (APS) and chitosan (Cs) was carried out successfully to form novel Cs/MCM-41-APS nanocomposite (NC). It was also reported that its application as an adsorbent has removed aspirin from water. The structure and morphology of NC was Recently, water pollution has been a warning environmental problem due to pharmaceuticals [1] and personal care product residuals, [1,2] which are produced by homemade and hospital sewage, usage of over-the-counter drugs, and agricultural and industrial wastes, [3] These products are not biodegradable and are not easily degraded in the treatment process. [4] Among various pharmaceuticals pollutants, acetylsalicylic acid, also known as aspirin, is one of the non-steroidal and antiinflammatory drugs widely used by humans and

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Section: Resultsmentioning

confidence: 87%

Synthesis of chitosan and amine functionalized MCM‐41 nanocomposite for the removal of acetylsalicylic acid from water using central composite design

Moradpour

Sedaghat

Azar

et al. 2021

Applied Organom Chemis

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“…Besides, the reckoned q max under Langmuir model was 1959.94 mg/g. Moreover, the preference of the MB uptake process was proved via n value since it was greater than 2 [62]. Furthermore, the computed bonding energy (E = 1/(2K DR ) 1/2 ) was 15.81 kJ/ mol, suggesting that the adsorption of MB onto NZVI-LBC occurred via chemical bonds [63].…”

Section: Isotherm Studymentioning

confidence: 95%

Zero-valent iron supported-lemon derived biochar for ultra-fast adsorption of methylene blue

El-Monaem

Omer

Eldin

et al. 2022

Biomass Conv. Bioref.

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Green-based materials represent a new promising class of ecofriendly and economic adsorbents. Herein, nano zero-valent iron supported-lemon derived biochar (NZVI-LBC) was prepared for the first time and examined in the adsorptive removal of methylene blue as a model pollutant. Different characterization tools were used to ensure the successful fabrication of the NZVI-LBC composite including FTIR, XRD, TEM, XPS, VSM, BET, and zeta potential analysis. It was found that the fabricated NZVI–supported biochar composite attained the propitious adsorbent criteria since it provided a supreme efficient adsorption process at short time. The reckoned maximum adsorption capacity of MB onto NZVI-LBC reached 1959.94 mg/g within merely 5 min. The obtained data clarified that the adsorption process of MB onto NZVI-LBC fitted pseudo 2nd order kinetic model and Freundlich isotherm model. Besides, the adsorption process of MB onto NZVI-LBC was found to be endothermic in nature. In addition, NZVI-LBC composite revealed an excellent adsorption behavior even after seven cycles. The concrete results reflect the potentiality of NZVI-LBC composite to be a superb candidate to remove cationic pollutants from their aqueous solutions. Graphical abstract

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“…The quantum chemical parameters were estimated from energies associated with frontier molecular orbitals [the highest occupied molecular orbital (HOMO; EH), lowest unoccupied molecular orbital (LUMO; EL), and an energy gap (∆E = EH -EL)], electron affinity (A = -EL), and ionization potential (I = -EH). The global reactivity indexes namely, chemical potential (µ), chemical hardness (ή), chemical softness (σ) electronegativity (χ) and global electrophilicity power (ɷ), were approximated in terms of Frontier orbital energies as expressed by Equations 10-14, respectively (18):…”

Section: Methodsmentioning

confidence: 99%

Experimental and DFT Computational Insights on the Adsorption of Selected Pharmaceuticals of Emerging Concern from Water Systems onto Magnetically Modified Biochar

Yunusa

Umar

Idriss

et al. 2021

Journal of the Turkish Chemical Society Section A: Chemistry

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This work aimed to fabricate a magnetically modified biochar (MBC) through a one-step pyrolysis of Vitex doniana nut at 500 °C and investigate its feasibility for the removal of two pharmaceuticals, namely, amoxicillin (AMX) and trimethoprim (TMT) from aqueous environment. The textural characteristics, chemical composition and magnetic properties of the MBC were analyzed using Brunauer-Emmett-Teller (BET) analysis, scanning electron microscopy (SEM), Fourier Transform Infrared (FTIR) spectroscopy, X-ray diffraction (XRD) and vibrating sample magnetometer (VSM). The results demonstrated the successful incorporation of the magnetic particles in the biochar matrix. The specific surface area and average pore volume of the MBC were obtained as 108.90 m2/g and 2.98 cm3/g, respectively. The adsorption process was observed to be strongly pH-dependent, and equilibrium was attained within 1 h. The kinetic data favors pseudo-second-order model (R2 > 0.999), implying that the most plausible mechanism for the adsorption was chemisorption. The isothermal data was best fitted by the Langmuir model (R2 > 0.985), signifying that the process was mainly monolayer adsorption on homogeneous surface. The maximum adsorption capacity achieved for AMX and TMT was 41.87 and 55.83 mg/g at 303 K, respectively. The thermodynamic examination highlighted that the adsorption was feasible and accompanied with absorption of heat and increase of entropy for both the adsorbates. Furthermore, the MBC exhibited a good recycling capability such that the adsorption capacity decreases by ~ 25% after reuse for six cycles. Besides, the theoretical results based on density functional theory (DFT) calculations demonstrated that the TMT molecules (ΔE = 3.762 eV) are more reactive compared to the AMX molecules (ΔE = 3.855 eV) which correlates with the experimental observations.

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Selected pharmaceuticals removal using algae derived porous carbon: experimental, modeling and DFT theoretical insights

Abstract: Porous carbon from Laminaria digitata algae activated using NaOH (PCLD@NaOH) was prepared by a chemical activation approach and has been tested for the adsorption of ketoprofen and aspirin molecules.

Cited by 51 publications

References 94 publications

Synthesis of chitosan and amine functionalized MCM‐41 nanocomposite for the removal of acetylsalicylic acid from water using central composite design

Synthesis of chitosan and amine functionalized MCM‐41 nanocomposite for the removal of acetylsalicylic acid from water using central composite design

Zero-valent iron supported-lemon derived biochar for ultra-fast adsorption of methylene blue

Experimental and DFT Computational Insights on the Adsorption of Selected Pharmaceuticals of Emerging Concern from Water Systems onto Magnetically Modified Biochar

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