Dataset Information

DFT and comparative adsorption study of NiO, MnO, and Mn2NiO4 nanomaterials for the removal of amaranth dye from synthetic water.

ABSTRACT: In the current study, NiO nanoparticles, MnO nanoparticles, and Mn2NiO4 nanocomposites (Ni-NPs, Mn-NPs and MN-NCs, respectively) were synthesized using a facile hydrothermal method, and their performance in the removal of amaranth (AM) dye from synthetic wastewater was compared. XRD, FTIR spectroscopy, SEM, BET analysis, and TGA were performed to characterize the produced catalysts. The effect of pertinent parameters, including pH, dosage of catalysts, temperature, and shaking speed on the uptake of AM was investigated through batch experiments. The MN-NCs showed ultrafast and high efficiency for AM removal compared to their counter parts Mn-NPs and Ni-NPs. Under ideal conditions, the highest adsorption efficiencies of AM onto Ni-NPs, Mn-NPs, and MN-NCs were calculated to be 80.50%, 93.85%, and 98.50%, respectively. The Langmuir isotherm fitted the experimental data of AM removal better as shown by the higher values of r2, compared to the Freundlich isotherm, indicating monolayer type adsorption of AM. According to kinetic analyses, the adsorption of AM was best described by the pseudo-second-order kinetic model. Further, regeneration/recycling studies showed that MN-NCs retained 79% adsorption efficiency after four cycles. DFT experiments were also conducted to gain a deeper understanding of the process and behavior of AM adsorption. In conclusion, as Ni-NPs, Mn-NPs, and MN-NCs adsorb AM predominantly via electrostatic interaction, they can be applied for the removal of both cationic and anionic dyes by controlling the pH factor.

SUBMITTER: Ahmad M

PROVIDER: S-EPMC11372564 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

DFT and comparative adsorption study of NiO, MnO, and Mn2NiO4 nanomaterials for the removal of amaranth dye from synthetic water.

Ahmad Madiha M Riaz Qamar Q Tabassum Mehwish M Shafqat Syed Salman SS Ayesha Aima Tul AT Zubair Muhammad M Xiong Youpeng Y Syed Asad A Al-Shwaiman Hind A HA Nadeem Muhammad Arif MA Jia Xin X Xu Guobao G Zafar Muhammad Nadeem MN

RSC advances 20240904 39

In the current study, NiO nanoparticles, MnO nanoparticles, and Mn2NiO4 nanocomposites (Ni-NPs, Mn-NPs and MN-NCs, respectively) were synthesized using a facile hydrothermal method, and their performance in the removal of amaranth (AM) dye from synthetic wastewater was compared. XRD, FTIR spectroscopy, SEM, BET analysis, and TGA were performed to characterize the produced catalysts. The effect of pertinent parameters, including pH, dosage of catalysts, temperature, and shak ...[more]

PMID: 39239279

Similar Datasets

Project description:Entire elimination of pharmaceutical drugs from waste- and domestic-waters has attracted great attention due to their potent adverse effects on human health, particularly the human immune system. Many risks have been related to the presence of different types of drugs at different concentrations in wastewater. These risks include antimicrobial resistance (AMR), endocrine action, hormonal activation of cancers, and photodegradation of drugs. In this study, new nanohybrid materials consisting of graphene oxide (GO) and oxidized carbon nanotubes (OCNTs) were developed to remove a well-known drug, namely, ranitidine that treats stomach ulcers and gastrointestinal (GI) reflux disease from aqueous solutions. The characterization of synthesized nanohybrid GO-OCNTs was performed using spectroscopic (FTIR, and XRD), thermogravimetric (TGA) and microscopic (SEM) techniques. Batch adsorption experiments were used to investigate the technical feasibility of using synthesized GO-OCNTs for the removal of ranitidine from aqueous solutions. The effects of different operating conditions such as contact time, nanohybrid mass, solution temperature, solution pH, % crosslinking agent, and GO-to-OCNT ratio on the entire elimination of ranitidine were investigated. The experimental results indicated that the removal of ranitidine was very efficient, where 98.3% removal of the drug from aqueous solutions was achieved with a drug uptake of 97.8 mg g-1. Moreover, the results indicated the optimum conditions for the removal of ranitidine, which are as follows: contact time = 140 minutes, nanohybrid GO-OCNT mass = 10 mg, solution temperature = 290 K, solution pH = 6.4, % crosslinking agent = 0.5%, and GO to O-CNT ratio = 1 : 4. The equilibrium data were fitted to different adsorption isotherms and Langmuir was found to best describe our data. Dynamic studies demonstrated that ranitidine adsorption followed pseudo-second order, and the thermodynamic parameters confirmed exothermic drug adsorption as well as the physisorption process.

Dataset Information

DFT and comparative adsorption study of NiO, MnO, and Mn2NiO4 nanomaterials for the removal of amaranth dye from synthetic water.

Publications

DFT and comparative adsorption study of NiO, MnO, and Mn<sub>2</sub>NiO<sub>4</sub> nanomaterials for the removal of amaranth dye from synthetic water.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets