Synthesis and physicochemical characterization of new calcined layered double hydroxide Mg Zn Co Al-CO3; classical modeling and statistical physics of nitrate adsorption

Elhachmi, Mounira; Chemat, Zoubida; Chebli, Derradji; Bouguettoucha, Abdallah; Amrane, Abdeltif

doi:10.1016/j.inoche.2022.109549

Cited by 6 publications

(1 citation statement)

References 80 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Acidic pH conditions are not recommended for processes involving LDH clays, as they can potentially damage the clay structure (dos Santos et al 2013 ). However, this negative impact can be mitigated by operating at optimum adsorbent loadings, as the clay can neutralize the solution due to its natural pH being between 8 to 10 (Amamra et al 2021 ; Elhachemi et al 2022 ). Based on these results, the optimal conditions were determined to be a pH of 5, an adsorbent loading of 10 g/L, and an ambient temperature of approximately 25 °C.…”

Section: Resultsmentioning

confidence: 99%

Integrated study of antiretroviral drug adsorption onto calcined layered double hydroxide clay: experimental and computational analysis

Tabana,

Adekoya,

Tichapondwa

2024

Environ Sci Pollut Res

View full text Add to dashboard Cite

This study focused on the efficacy of a calcined layered double hydroxide (CLDH) clay in adsorbing two antiretroviral drugs (ARVDs), namely efavirenz (EFV) and nevirapine (NVP), from wastewater. The clay was synthesized using the co-precipitation method, followed by subsequent calcination in a muffle furnace at 500 °C for 4 h. The neat and calcined clay samples were subjected to various characterization techniques to elucidate their physical and chemical properties. Response surface modelling (RSM) was used to evaluate the interactions between the solution’s initial pH, adsorbent loading, reaction temperature, and initial pollutant concentration. Additionally, the adsorption kinetics, thermodynamics, and reusability of the adsorbent were evaluated. The results demonstrated that NVP exhibited a faster adsorption rate than EFV, with both reaching equilibrium within 20–24 h. The pseudo-second order (PSO) model provided a good fit for the kinetics data. Thermodynamics analysis revealed that the adsorption process was spontaneous and exothermic, predominantly governed by physisorption interactions. The adsorption isotherms followed the Freundlich model, and the maximum adsorption capacities for EFV and NVP were established to be 2.73 mg/g and 2.93 mg/g, respectively. Evaluation of the adsorption mechanism through computational analysis demonstrated that both NVP and EFV formed stable complexes with CLDH, with NVP exhibiting a higher affinity. The associated adsorption energies were established to be −731.78 kcal/mol for NVP and −512.6 kcal/mol for EFV. Visualized non-covalent interaction (NCI) graphs indicated that hydrogen bonding played a significant role in ARVDs-CLDH interactions, further emphasizing physisorption as the dominant adsorption mechanism.

show abstract

Section: Resultsmentioning

confidence: 99%