Tuning the surface chemistry and porosity of waste-derived nanoporous materials toward exceptional performance in antibiotic adsorption: Experimental and DFT studies

Alivand, Masood S.; Najmi, Mahnoush; Tehrani, Neda Haj Mohammad Hossein; Kamali, Ali; Tavakoli, Omid; Rashidi, Alimorad; Esrafili, Mehdi D.; Mazaheri, Omid

doi:10.1016/j.cej.2019.05.188

Cited by 30 publications

(3 citation statements)

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“…In this process, the particle size of asphaltene precipitates plays an important role, as they interact and agglomerate with water droplets and solid particles [7]. The precipitated asphaltene can be used as a raw material to make value-added products, such as absorbent, or carbon fibers [8][9][10][11]. Therefore, it is of importance to understand and control asphaltene precipitation.…”

Section: Introductionmentioning

confidence: 99%

Asphaltene Precipitation Under Controlled Mixing Conditions in a Microchamber

et al. 2022

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Section: Introductionmentioning

confidence: 99%

Asphaltene Precipitation Under Controlled Mixing Conditions in a Microchamber

et al. 2022

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“…The nitrogen adsorption/desorption isotherm of the prepared superactivated carbon is a typical type I isotherm with a specific surface area of 2460 m 2 •g −1 and micropore volume of 0.85 cm 3 •g −1 . Alivand et al 16 used Iranian asphaltene as a raw material to activate KOH and also melamine as a nitrogen-enriching agent for modification to produce M-IANC. The V meso/ V total of M-IANC-3 reached 93.6%, which was higher than those of other IANCs.…”

Section: Introductionmentioning

confidence: 99%

Nanoporous Asphalt-Based Activated Carbon Prepared from Emulsified Asphalt and Graphene Oxide as High-Thermal-Conducting Adsorbers for n-Hexane Vapor Recovery

Zhu

Huang

et al. 2021

ACS Appl. Nano Mater.

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Because of the low thermal conductivity of activated carbon, local overheating often occurs during the adsorption process for volatile organic compounds (VOCs), resulting in a low adsorption efficiency, potential fire hazard, etc. Asphalt-based activated carbon (A-AC) was prepared from emulsified asphalt, and graphene oxide (GO) was evenly dispersed in A-AC in situ to prepare a nanoporous carbon with asphalt/GO as a high-thermal-conducting adsorber for n-hexane vapor recovery. Then this study systematically discusses the effects of GO on the specific surface area, pore size distribution, thermodynamic properties of A-AC, and the adsorption/ desorption properties of n-hexane vapor. The results show that the addition of an appropriate amount of GO is beneficial to the formation of a cross-linked structure in the A-AC during the activation process. When the optimized amount of GO is 1.0 wt % (labeled as A-AC/GO-1.0), both the specific surface area and micropore volume reach the maximum, which are 1662 m 2 •g −1 and 0.49 cm 3 •g −1 , respectively. More importantly, the thermal conductivity of A-AC/GO-1.0 is 2 times that of A-AC. In addition, the A-AC/GO-1.0 material has a good adsorption capacity for n-hexane vapor, which is 1.76 times for A-AC. It can also retain a good regeneration performance after a dynamic adsorption experiment. Therefore, as a promising material, A-AC/GO will break through the technological bottleneck of the adsorption/desorption of activated carbon, such as low adsorption capacity owing to the high adsorption heat effect, difficult desorption and regeneration, and short life.

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“…The energies of the HOMO and LUMO frontier orbitals and the gap energy of the molecules calculated by the DFT/B3LYP 6-31 + G (d,p) method under different pH conditions from the optimized structures are given in Table6, a unprotonated and protonated state. From this table, we notice that the SMX + molecule has the highest energy gap ΔE to the protonated form(Alivand et al 2019). Global reactivity plays an important role to describe the ability of SMX to interact with the surface of Ag 2 O NPs under different pH conditions.…”

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confidence: 99%

Green synthesis of Ag2O nanoparticles using Punica granatum leaf extract for sulfamethoxazole antibiotic adsorption: characterization, experimental study, modeling, and DFT calculation

Messaoudi

Mouden

Fernine

et al. 2022

Environ Sci Pollut Res

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In this study, silver oxide nanoparticles (Ag 2 O NPs) were generated by synthesizing green leaf extract of Punica granatum and used as adsorbent and used as adsorbent to remove the antibiotic additive sulfamethoxazole (SMX) from an aqueous solution. The chemical composition, surface morphology, and textural properties of the Ag 2 O NPs were identi ed using XRD, FTIR, BET/BJH, SEM-EDX, and TEM analyses. For 100 mg L − 1 SMX antibiotic concentration, Ag 2 O NPs achieved almost complete removal of 98.93% within 90 min by using 0.8 g L − 1 of adsorbent dose and initial solution pH of 4 at a temperature of 308 K. Langmuir model e ciently elucidates the experimental data, which amounts to homogeneous nature of antibiotic adsorption onto the Ag 2 O NPs. The maximum uptake capacity was 277.85 mg g − 1 .Kinetic studies promise a PSO model. The ΔGº and ΔHº values con rm the spontaneity and endothermicity of the adsorption process. The regeneration study shows that the Ag 2 O NPs can be e ciently reused for up to ve cycles. The geometric structures have been optimized and quantum chemical parameters were calculated for the SMX unprotonated (SMX +/− ) and protonated (SMX + ) using density functional theory (DFT) calculation, indicating that the SMX +/− is reacting more favorably on the surface of Ag 2 O NPs compared to the SMX + . According to this study, the Ag 2 O NPs as an excellent potential the adsorbent will be able to have remarkable effects in the treatment of pharmaceutical wastewater.

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Tuning the surface chemistry and porosity of waste-derived nanoporous materials toward exceptional performance in antibiotic adsorption: Experimental and DFT studies

Cited by 30 publications

References 90 publications

Asphaltene Precipitation Under Controlled Mixing Conditions in a Microchamber

Asphaltene Precipitation Under Controlled Mixing Conditions in a Microchamber

Nanoporous Asphalt-Based Activated Carbon Prepared from Emulsified Asphalt and Graphene Oxide as High-Thermal-Conducting Adsorbers for n-Hexane Vapor Recovery

Green synthesis of Ag2O nanoparticles using Punica granatum leaf extract for sulfamethoxazole antibiotic adsorption: characterization, experimental study, modeling, and DFT calculation

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