Investigation of the cationic dye methylene blue in the treatment of wastewater clay from Sidi-Kacem (Morocco): Kinetic and mathematical modelling of experimental data

Kerdoudi, Zineb El; Bensalah, Jaouad; Helli, Hafsa; mekkaoui, Abd El Ali El; Mejdoub, Nouredine EL

doi:10.1016/j.matpr.2022.08.299

Cited by 7 publications

(8 citation statements)

References 8 publications

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“…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%

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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 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%

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 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%

“…15 These calculations facilitated a comprehensive understanding of the system's behavior and properties under the given conditions. 16 2.7. Data Modeling.…”

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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“…Under the background of the aquatic environmentally deterioration, photo catalysis, adsorption [1][2][3][4][5] and several technical in this process [6][7][8][9] has been widely investigated because of its multifunctional application in green-chemical elds such as degradation of organic pollutants [10,11] and inorganic pollutants [12][13][14][15]. In other hand, we obtained.…”

Section: Introductionmentioning

confidence: 99%

Study of the mechanical behavior of swelling and highly compacted clays in road construction

Ouslimane,

Bensalah,

Barebita

et al. 2023

Preprint

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Clays considered “problematic” swelling clay soils in the construction of road infrastructures. They generally associated with high compression, high plasticity, and evolutionary behavior. The objective of this article is to study the mechanical behavior of swelling clays and particularly a clay from the Kenitra region. To do this, samples taken from the main clay sites in the region. They then subjected to several series of tests in the laboratory, namely identification tests and mechanical tests (shear test and odometer compressibility test). The results obtained show that the clays studied exhibit very different behaviors. Indeed, the clays of Sidi Slimane, Sidi Kacem and Ouazzane have very interesting mechanical characteristics and can offered in their natural state as road materials, at least for pavements. Ouazzane clay, on the other hand, has very swelling mechanical characteristics (Cg = 0.06), and clay from Sidi Slimane (Cg = 0.04) and Sidi Kacem (Cg = 0.05) and cannot be used in its raw state. Natural without any treatment.

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Investigation of the cationic dye methylene blue in the treatment of wastewater clay from Sidi-Kacem (Morocco): Kinetic and mathematical modelling of experimental data

Cited by 7 publications

References 8 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

Study of the mechanical behavior of swelling and highly compacted clays in road construction

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