Graphene oxide as a potential carrier or remover for flotation collectors: A molecular dynamics study

Wang, Chenliang; Ou, Leming

doi:10.1016/j.susc.2023.122334

Cited by 2 publications

(1 citation statement)

References 27 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For the removal of toxic and harmful components in sewage by adsorption, the selection of adsorption materials is the key issue. In recent years, graphene (GR) and graphene oxides (GOs) have shown many advantages in the field of wastewater treatment due to the unique two-dimensional nanostructure, high surface area, high surface activity, and high oxygen-containing functional groups, − which have a potential application prospect. It should be pointed out that it is difficult to recover the adsorbed GOs in water and it is easy to cause secondary pollution.…”

Section: Introductionmentioning

confidence: 99%

Adsorption Behaviors and Mechanism of Phenol and Catechol in Wastewater by Magnetic Graphene Oxides: A Comprehensive Study Based on Adsorption Experiments, Mathematical Models, and Molecular Simulations

Wu,

Zhang,

Liu

et al. 2024

ACS Omega

View full text Add to dashboard Cite

This study provides a comprehensive analysis of the adsorption behaviors and mechanisms of phenol and catechol on magnetic graphene oxide (MGO) nanocomposites based on adsorption experiments, mathematical models, and molecular simulations. Through systematic experiments, the influence of various parameters, including contact time, pH conditions, and ionic strength, on the adsorption efficacy was comprehensively evaluated. The optimal contact time for adsorption was identified as 60 min, with the observation that an increase in inorganic salt concentration adversely affected the MGOs’ adsorption capacity for both phenol and catechol. Specifically, MGOs exhibited a superior adsorption performance under mildly acidic conditions. The adsorption isotherm was well represented by the Langmuir model, suggesting monolayer coverage and finite adsorption sites for both pollutants. In terms of adsorption kinetics, a pseudo-first-order kinetic model was the most suitable for describing phenol adsorption, while catechol adsorption conformed more closely to a pseudo-second-order model, indicating distinct adsorption processes for these two similar compounds. Furthermore, this research utilized quantum chemical calculations to decipher the interaction mechanisms at the molecular level. Such calculations provided both a visual representation and a quantitative analysis of the interactions, elucidating the underlying physical and chemical forces governing the adsorption phenomena. The findings could not only offer crucial insights for the treatment of coal industrial wastewater containing phenolic compounds with bridging macroscopic observations with microscopic theoretical explanations but also advance the understanding of material–pollutant interactions in aqueous environments.

show abstract

Section: Introductionmentioning

confidence: 99%