Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical study
CoZr-LDH and its Graphene Oxide (GO) nanocomposite were synthesized by mechanochemical and hydrothermal methods, respectively, and were applied to absorb metronidazole as a pollutant antibiotic from an aqueous solution. In this study, Tetravalent and divalent metal cations were employed. The LDH and...
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Elsevier
2025-02-01
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| author | Edris Jamshidi Fateme Fathabadi Faranak Manteghi Rahime Eshaghimalekshah |
| author_facet | Edris Jamshidi Fateme Fathabadi Faranak Manteghi Rahime Eshaghimalekshah |
| author_sort | Edris Jamshidi |
| collection | DOAJ |
| description | CoZr-LDH and its Graphene Oxide (GO) nanocomposite were synthesized by mechanochemical and hydrothermal methods, respectively, and were applied to absorb metronidazole as a pollutant antibiotic from an aqueous solution. In this study, Tetravalent and divalent metal cations were employed. The LDH and LDH/GO were characterized by SEM, EDS, IR, BET, and XRD analyses. In the adsorption process of metronidazole using both the CoZr-LDH and CoZr-LDH/GO nanocomposite as adsorbents, parameters such as initial solution pH, adsorbent dose, initial drug concentration, and contact time were optimized to obtain the maximum adsorption capacity. The adsorption performance of CoZr-LDH and its nanocomposite with graphene oxide (GO) was thoroughly investigated for the removal of metronidazole (MNZ), a significant environmental contaminant. CoZr-LDH demonstrated optimal adsorption, yielding an experimental qe value of 189.1376 mg g-1. Conversely, the CoZr-LDH/GO nanocomposite exhibited superior adsorption performance under optimum conditions, achieving a remarkable experimental qe value of 906.5688 mg g-1.The adsorption isotherms, including Langmuir, Freundlich, and Redlich-Peterson models, were fitted to the experimental data to describe the interaction mechanisms and surface characteristics. Additionally, kinetic studies involving pseudo-first-order and pseudo-second-order models were performed, revealing critical insights into the adsorption process. Post-adsorption characterization confirmed the successful interaction between MNZ and the adsorbents. This study emphasizes the potential of GO-enhanced CoZr-LDH for effective removal of metronidazole, addressing its status as a critical pollutant in wastewater.To comprehensively study the adsorption process in CoZr-LDH and CoZr-LDH/GO, theoretical analyses were conducted using Monte Carlo computational method. This approach, known for simulating numerous particle trajectories and statistical averaging, allowed for an in-depth examination of adsorption mechanisms under various conditions. The findings, validated against experimental data, enhanced model accuracy and provided deeper insights into adsorption behaviors in complex environments. |
| format | Article |
| id | doaj-art-b9361f8c25d642bc9fb818b724dbd571 |
| institution | Kabale University |
| issn | 2405-8440 |
| language | English |
| publishDate | 2025-02-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Heliyon |
| spelling | doaj-art-b9361f8c25d642bc9fb818b724dbd5712025-02-05T04:32:19ZengElsevierHeliyon2405-84402025-02-01113e42396Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical studyEdris Jamshidi0Fateme Fathabadi1Faranak Manteghi2Rahime Eshaghimalekshah3Research Laboratory of Inorganic Chemistry and Environment, Department of Chemistry, Iran University of Science and Technology, 16846-13114, Tehran, IranResearch Laboratory of Inorganic Chemistry and Environment, Department of Chemistry, Iran University of Science and Technology, 16846-13114, Tehran, IranResearch Laboratory of Inorganic Chemistry and Environment, Department of Chemistry, Iran University of Science and Technology, 16846-13114, Tehran, Iran; Corresponding author.Department of Chemistry, Faculty of Chemistry, University of Semnan, Semnan, IranCoZr-LDH and its Graphene Oxide (GO) nanocomposite were synthesized by mechanochemical and hydrothermal methods, respectively, and were applied to absorb metronidazole as a pollutant antibiotic from an aqueous solution. In this study, Tetravalent and divalent metal cations were employed. The LDH and LDH/GO were characterized by SEM, EDS, IR, BET, and XRD analyses. In the adsorption process of metronidazole using both the CoZr-LDH and CoZr-LDH/GO nanocomposite as adsorbents, parameters such as initial solution pH, adsorbent dose, initial drug concentration, and contact time were optimized to obtain the maximum adsorption capacity. The adsorption performance of CoZr-LDH and its nanocomposite with graphene oxide (GO) was thoroughly investigated for the removal of metronidazole (MNZ), a significant environmental contaminant. CoZr-LDH demonstrated optimal adsorption, yielding an experimental qe value of 189.1376 mg g-1. Conversely, the CoZr-LDH/GO nanocomposite exhibited superior adsorption performance under optimum conditions, achieving a remarkable experimental qe value of 906.5688 mg g-1.The adsorption isotherms, including Langmuir, Freundlich, and Redlich-Peterson models, were fitted to the experimental data to describe the interaction mechanisms and surface characteristics. Additionally, kinetic studies involving pseudo-first-order and pseudo-second-order models were performed, revealing critical insights into the adsorption process. Post-adsorption characterization confirmed the successful interaction between MNZ and the adsorbents. This study emphasizes the potential of GO-enhanced CoZr-LDH for effective removal of metronidazole, addressing its status as a critical pollutant in wastewater.To comprehensively study the adsorption process in CoZr-LDH and CoZr-LDH/GO, theoretical analyses were conducted using Monte Carlo computational method. This approach, known for simulating numerous particle trajectories and statistical averaging, allowed for an in-depth examination of adsorption mechanisms under various conditions. The findings, validated against experimental data, enhanced model accuracy and provided deeper insights into adsorption behaviors in complex environments.http://www.sciencedirect.com/science/article/pii/S2405844025007765LDHNanocompositeMetronidazoleAdsorptionGraphene nano materials (GNM) |
| spellingShingle | Edris Jamshidi Fateme Fathabadi Faranak Manteghi Rahime Eshaghimalekshah Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical study Heliyon LDH Nanocomposite Metronidazole Adsorption Graphene nano materials (GNM) |
| title | Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical study |
| title_full | Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical study |
| title_fullStr | Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical study |
| title_full_unstemmed | Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical study |
| title_short | Adsorption characteristics of metronidazole on CoZr-LDH and its GO nanocomposite: Experimental and theoretical study |
| title_sort | adsorption characteristics of metronidazole on cozr ldh and its go nanocomposite experimental and theoretical study |
| topic | LDH Nanocomposite Metronidazole Adsorption Graphene nano materials (GNM) |
| url | http://www.sciencedirect.com/science/article/pii/S2405844025007765 |
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