Adsorption performance and mechanism of anionic MO dye by the adsorbent polymeric Amberlite®IRA-410 resin from environment wastewater: Equilibrium kinetic and thermodynamic studies

Elabboudi, Maryem; Bensalah, Jaouad; Amri, Abdelhay El; Azzouzi, Nabila EL; Srhir, Bousalham; Lebkiri, Ahmed; Zarrouk, A.; Rifi, El Housseine

doi:10.1016/j.molstruc.2022.134789

Cited by 18 publications

(8 citation statements)

References 33 publications

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“…The negative values of Δ G ◦ indicate that the MB adsorption process is spontaneous and that its adsorption is more favorable at higher temperatures on both solids. Similar findings in other studies have also revealed that the adsorption of cationic dyes on clays is spontaneous and endothermic. , …”

Section: Results and Discussionsupporting

confidence: 90%

“…These findings corroborate the XRD findings that the primary component of red clay is kaolinite, muscovite, and quartz. On the other hand, we note the dominance of carbon in orange clay due to the significant presence of calcite. − …”

Section: Results and Discussionmentioning

confidence: 82%

“…Similar findings in other studies have also revealed that the adsorption of cationic dyes on clays is spontaneous and endothermic. 22,23 3.5. Adsorption Mechanism.…”

Section: Adsorption Thermodynamicsmentioning

confidence: 99%

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Adsorption of Methylene Blue Dye and Analysis of Two Clays: A Study of Kinetics, Thermodynamics, and Modeling with DFT, MD, and MC Simulations

Sellak,

Bensalah,

Ouaddari

et al. 2024

ACS Omega

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The purpose of this research was to learn more about the primary and secondary properties of Moroccan natural clay in an effort to better investigate innovative adsorbents and gain access to an ideal adsorption system. Scanning electron microscopy coupled with energy-dispersive X-ray spectroscopy analysis (SEM-EDX) and X-ray fluorescence were employed for identification. SEM revealed clay grains, including tiny particles and unevenly shaped sticks. First-and second-order rate laws, representing two distinct kinetic models, were applied in the kinetic approach. Adsorption of dye MB onto natural clay was studied, and the results agreed with the 2 s order model. The significant correlation coefficients support the inference that the adsorption process was governed by the Langmuir model. Subsequent DFT analyses demonstrated that the methylene blue dye's HOMO and LUMO surfaces are dispersed across most of the dye's components, pointing to a strong interaction with the clay. To determine how the dye might be adsorbed onto the clay, we employed quantum descriptors to locate its most nucleophilic and electrophilic centers. Endothermic reactions are evident during the MB adsorption process on clay, as indicated by the positive values of ΔH 0 and ΔS 0 (70.49 kJ mol −1 of RC and 84.19 kJ mol −1 of OC and 10.45 J mol −1 K −1 of RC and 12.68 mol −1 K −1 of OC, respectively). Additionally dye molecules on the adsorbent exhibit a higher order of distribution than in the solution, indicating that the adsorption process is spontaneous.

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Section: Results and Discussionsupporting

confidence: 90%

Section: Results and Discussionmentioning

confidence: 82%

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Adsorption of Methylene Blue Dye and Analysis of Two Clays: A Study of Kinetics, Thermodynamics, and Modeling with DFT, MD, and MC Simulations

Sellak,

Bensalah,

Ouaddari

et al. 2024

ACS Omega

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“…The MC and MD calculations of the simulation employed the widely utilized COMPASS III force field, known for its versatility and reliability. , MD simulations were executed under the NVT ensemble at a temperature of 298 K, ensuring the system’s stability and mimicking real-world conditions. The MD simulation spanned a total duration of 0.8 ns, allowing for a detailed exploration of the molecular dynamics and interactions within the system over a significant time frame . These calculations facilitated a comprehensive understanding of the system’s behavior and properties under the given conditions …”

Section: Methodsmentioning

confidence: 99%

“…The MD simulation spanned a total duration of 0.8 ns, allowing for a detailed exploration of the molecular dynamics and interactions within the system over a significant time frame. 15 These calculations facilitated a comprehensive understanding of the system's behavior and properties under the given conditions. 16 2.7.…”

Section: Monte Carlo (Mc) and Molecular Dynamic (Md)mentioning

confidence: 99%

Physicochemical Characterization of Clay and Study of Cationic Methylene Blue Dye Adsorption

El Kerdoudi,

Bensalah,

Ferraa

et al. 2023

ACS Omega

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In an attempt to examine novel adsorbents in accessing an ideal adsorption system, this study aimed to help understand the main and secondary characteristics of a Moroccan natural clay. X-ray fluorescence, infrared, and scanning electron microscopy with energy-dispersive X-ray spectroscopy analysis (SEM-EDX) were used for the identification. The findings demonstrate that this Clay is composed of a mixture of quartz, calcite, magnetite, and Rutile in very high proportions. SEM revealed the presence of clay grains in the presence of fine particles and irregularly contoured sticks. The results of semiquantitative detection by EDX also reveal the presence of certain mineral species (Si, Al, Mg, Fe, K, Cl, S, Ca, and Na). The exploited kinetic technique was achieved using two different kinetic models: first- and second-order rate laws. Commensurate to the obtained results, the 2-sec order model better described the adsorption of dye MB onto the natural clay. The results confirmed that the adsorption process followed the Langmuir model with the high coefficient correlation obtained which are very close to 1. In the sequel, DFT results revealed that the HOMO and LUMO surfaces of the methylene blue dye are mostly distributed on all dye parts, reflecting possible strong interactions with the clay. The quantum descriptors investigated in this study identify the most nucleophilic and electrophilic centers that can be used to suggest a suitable mechanism for the adsorption of the dye by the clay. The values of enthalpy ΔH 0 and entropy ΔS 0 of activation were −15.88 kJ mol–1 and −0.021 J mol–1 K–1, respectively, show that the nature of the adsorption process of MB on clay is exothermic and the order of distribution of the dye molecules on the adsorbent increases with respect to that of the solution so the negative values of ΔG 0 (from −9. 62 to −8.99 kJ mol–1) indicate that the adsorption process is spontaneous.

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Experimental study combined with RSM process optimization for removal of the (Safranin O) cationic dye in the aqueous solution using a hydrogel prepared based on cellulosic biomass: an effective and ecological approach

Lebkiri,

Amri,

Jebli

et al. 2024

Biomass Conv. Bioref.

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Adsorption performance and mechanism of anionic MO dye by the adsorbent polymeric Amberlite®IRA-410 resin from environment wastewater: Equilibrium kinetic and thermodynamic studies

Cited by 18 publications

References 33 publications

Adsorption of Methylene Blue Dye and Analysis of Two Clays: A Study of Kinetics, Thermodynamics, and Modeling with DFT, MD, and MC Simulations

Adsorption of Methylene Blue Dye and Analysis of Two Clays: A Study of Kinetics, Thermodynamics, and Modeling with DFT, MD, and MC Simulations

Physicochemical Characterization of Clay and Study of Cationic Methylene Blue Dye Adsorption

Experimental study combined with RSM process optimization for removal of the (Safranin O) cationic dye in the aqueous solution using a hydrogel prepared based on cellulosic biomass: an effective and ecological approach

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