An Amberlite IRA-400 Cl− ion-exchange resin modified with Prosopis juliflora seeds as an efficient Pb2+ adsorbent: adsorption, kinetics, thermodynamics, and computational modeling studies by density functional theory

Anbazhagan, Sivaprakasam; Venugopal, T.; Sukeri, Anandhakumar

doi:10.1039/d0ra10128a

Cited by 12 publications

(5 citation statements)

References 42 publications

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“…The C(6)-OH group from the glucose unit of the whiskers formed bonds with the lead ions, with bond lengths of 2.6-2.7 Å, longer than the Pb(II)-COO⁻ bonds observed with ST-g-PAAc. These values are comparable to similar bonds in other compounds (Anbazhagan, Thiruvengadam, and Sukeri 2021). The interaction of the whiskers further stabilized the model complex by an additional binding energy of 29.42 kcal/mol compared to the ST-g-PAAc-Pb(II) structure.…”

Section: Dft Calculationssupporting

confidence: 80%

Systematic evaluation of cellulose nanowhiskers effect on the Pb(II) adsorption by superabsorbent hydrogels nanocomposites: An experimental and theoretical study

Fajardo,

Oliboni,

Magalhães

et al. 2023

Preprint

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The incorporation of cellulose nanowhiskers (CNWs) in superabsorbent hydrogels of starch grafted with poly(acrylic acid) (ST-g-PAAc) is proposed as a strategy to obtain adsorbent materials with superior performance for Pb(II) removal. The functionalized surface of CNWs provides additional interaction sites, contributing to the high adsorption capacity (935.8 mg/g) of the composite hydrogel. The presence of CNWs also minimizes the effects of temperature and competition with other ions, making the adsorption process more stable and efficient. Density functional theory (DFT) calculations revealed that the hydroxyl groups of CNWs play a crucial role in providing additional binding energies (approximately 30 kcal/mol) for the Pb(II) ions, favoring the spontaneity and kinetics of the adsorption process. The adsorption process on the CNWs-containing hydrogel involves chemisorption and intra-particle diffusion, indicating multiple steps occurring during the adsorption of Pb(II) ions. Also, the CNWs-containing hydrogel demonstrates excellent reusability, showing minimal loss of adsorption capacity after consecutive reuses. This characteristic makes the composite highly attractive for practical applications in real-world scenarios. In short, the systematic evaluation of different experimental conditions has confirmed the superior adsorption performance of the composite hydrogel and gives light on the role of CNWs as a valuable nanofiller to enhance the adsorption properties of these materials.

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Section: Dft Calculationssupporting

confidence: 80%

Systematic evaluation of cellulose nanowhiskers effect on the Pb(II) adsorption by superabsorbent hydrogels nanocomposites: An experimental and theoretical study

Fajardo,

Oliboni,

Magalhães

et al. 2023

Preprint

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“…Higher KL values signify a robust binding, suggesting a strong interaction between the adsorbate and adsorbent. In the present study a relatively smaller KL value (0.0674_ HC@SiO2@MNP@OW) indicates a weaker interaction between adsorbate and adsorbent [65]. The determination coefficients (R 2 ) ≥0.97 also indicate a good correlation between the experimental and modelled data.…”

Section: Adsorption Isothermsupporting

confidence: 56%

Green synthesis of DL-homocysteine decorated magnetic nanoparticles for selective and efficient mercury remediation from simulated wastewater: Kinetics, isotherm, and mechanism studies

Gour,

Kumar,

Arland

et al. 2023

Environmental Engineering Research

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The present study focuses on the facile green synthesis of magnetic nanoparticles (MNPs) using onion waste of Allium Cepa L. (MNP@OW) for effective removal of noxious mercury from simulated wastewater. Photogenically synthesized MNPs were functionalized with DL-homocysteine (HC@SiO2@MNP@OW) for selective mercury adsorption. Various characterization techniques were employed to confirm their physical properties. Vibrating sample magnetometer (VSM) studies indicated MNP@OW’s superparamagnetic nature with a saturation magnetization (Ms) of 48.35 emu/g, while HC@SiO2@MNP@OW had a reduced Ms of 4.52 emu/g due to a coating of non-magnetic silica and DL-homocysteine. Both adsorbents showed optimal adsorption at 80°C and pH 8. However, it is explicitly mentioned that HC@SiO2@MNP@OW demonstrated efficient mercury removal at a lower dosage and shorter contact time compared to MNP@OW. Fast separation times of 6 and 26 seconds for MNP@OW and HC@SiO2@MNP@OW, respectively, confirm their ease of separation from simulated wastewater. The Freundlich isotherm model fit the data well and kinetic analysis supported a pseudo-second-order model, revealing a chemisorption mechanism. Moreover, HC@SiO2@MNP@OW demonstrated high selectivity, even in the presence of co-existing ions. Green synthesized MNP@OW and HC@SiO2@MNP@OW exhibited promising potential as low-cost sorbents for efficient mercury removal from simulated wastewater, making them feasible for wastewater treatment in low-economic countries.

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“…The adsorption data were well fitted using the Temkin isotherm model (R 2 ≥ 0.96 and RMSE ≤1.49 × 10 −3 ), indicating that the energy released during adsorption decreased upon increasing the coverage of the activated carbon surface. 40 The Langmuir constant (K L ) for PAAC and M-PAAC was 0.054 and 0.101 L/mg, respectively, suggesting that M-PAAC had better adsorption affinity to Cd(II) than PAAC. 41,42 The maximum Cd(II) adsorption capacity (q m ) of M-PAAC was higher than that of PAAC, but PAAC possessed a higher S BET and V tot than M-PAAC.…”

Section: Resultsmentioning

confidence: 99%

Contributions of Various Cd(II) Adsorption Mechanisms by Phragmites australis-Activated Carbon Modified with Mannitol

et al. 2022

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Due to its high toxicity, persistence, and bioaccumulation in the food chain, controlling cadmium (Cd) pollution in wastewater is urgent. Activated carbon is a popular material for removing Cd. To improve the Cd(II) adsorption efficiency by increasing the number of oxygen-containing functional groups, Phragmites australis -activated carbon (PAAC) was modified with mannitol at a low temperature (150 °C). The textural and chemical characteristics of PAAC and modified PAAC (M-PAAC) were analyzed by surface area analysis, elemental analysis, Boehm’s titration, Fourier-transform infrared spectroscopy, and X-ray photoelectron spectroscopy. Batch adsorption experiments were conducted to investigate the influence of Cd(II) concentration, contact time, ionic strength, and pH on Cd(II) adsorption. The main adsorption mechanisms of Cd(II) on activated carbon were quantitatively calculated. The results showed that mannitol modification slightly decreased the S BET (5.30% of PAAC) and increased the content of carboxyl, lactone, and phenolic groups (total increase of 43.96% with PAAC), which enhanced the adsorption capacity of PAAC by 58.59%. The adsorption isotherms of PAAC and M-PAAC were described well using the Temkin model, while the intraparticle diffusion model fitted the Cd(II) adsorption kinetics best. Precipitation with minerals was a crucial factor for Cd(II) adsorption on activated carbon (50.40% for PAAC and 40.41% for M-PAAC). Meanwhile, the Cd(II) adsorption by M-PAAC was also dominated by complexation with oxygen-containing functional groups (33.60%). This research provides a method for recovering wetland plant biomass to prepare activated carbon and efficiently treat Cd-containing wastewater.

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An Amberlite IRA-400 Cl⁻ ion-exchange resin modified with Prosopis juliflora seeds as an efficient Pb²⁺ adsorbent: adsorption, kinetics, thermodynamics, and computational modeling studies by density functional theory

Abstract: We have demonstrated a high Pb2+ removal efficiency (73.45%) from wastewater using a Prosopis juliflora-seed-modified Amberlite IRA-400 Cl− ion-exchange resin (SMA resin).

Cited by 12 publications

References 42 publications

Systematic evaluation of cellulose nanowhiskers effect on the Pb(II) adsorption by superabsorbent hydrogels nanocomposites: An experimental and theoretical study

Systematic evaluation of cellulose nanowhiskers effect on the Pb(II) adsorption by superabsorbent hydrogels nanocomposites: An experimental and theoretical study

Green synthesis of DL-homocysteine decorated magnetic nanoparticles for selective and efficient mercury remediation from simulated wastewater: Kinetics, isotherm, and mechanism studies

Contributions of Various Cd(II) Adsorption Mechanisms by Phragmites australis-Activated Carbon Modified with Mannitol

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