| Literature DB >> 35064503 |
Huajian Yu1, Liuchun Zheng2,3, Tao Zhang1, Jingjing Ren1, Peipei Meng4.
Abstract
TEMPO-NaDCC-oxidized cellulose (TNOCS) with a large surface area and an abundance of carboxyl groups was used to remove heavy metal ions (Cd, Cu, and Pb) and their organic acid complexes [HM-OAs] (OAs, i.e., citric acid (CA) and propionic acid (PA)), and then reveal their adsorption behaviors. Taking Cd and CA as examples, the results showed that some of Cd ions were first adsorbed onto TNOCS, and then, the existence of [Cd-CA-] complexes formed a coordinated structure with preloaded Cd ions to serve as a bridge for combining TNOCS and [Cd-CA]. The maximum adsorption capacities of TNOCS for Cd and Cd-CA were 16.50 and 22.15 mg/g, respectively. Moreover, adsorption energies and molecular orbital distributions indicated that the adsorption capacity of TNOCS for [Cd-CA] was better than that for Cd alone. TNOCS can maintain greater than 90% adsorption capacity in five times regeneration experiments using EDTA, indicating that it is very efficient and stable. In addition, the electron density, deformation charge, and Mulliken charge distribution were confirmed that the electron transfer direction was from carboxyl groups to cadmium, whether it was cadmium ions or complexed cadmium.Entities:
Keywords: Adsorption; Bridge effect; Cadmium; Density functional theory; Ligands; Metal–organic complexes
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Year: 2022 PMID: 35064503 DOI: 10.1007/s11356-021-18222-7
Source DB: PubMed Journal: Environ Sci Pollut Res Int ISSN: 0944-1344 Impact factor: 4.223