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240726s2024 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.4c01755
|2 doi
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|a pubmed24n1493.xml
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|a eng
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|a Yan, Zheng
|e verfasserin
|4 aut
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|a Engineering Bis-Pyridine N-Functionalized Cellulose Aerogel for Efficient Extraction of Cu2+ from High-Acidity Wastewaters
|b Coupling Molecular Scale Interpretation with Experiment
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|c 2024
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|a Text
|b txt
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|a Date Revised 06.08.2024
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a In order to address the issue of protonation of functional groups and structural instability on the surface of aerogel due to strong acidic wastewater, a three-dimensional bis-pyridine N cellulose aerogel [PEIPD/carboxymethyl cellulose (CMC)] with protonation resistance was prepared in this paper by grafting pyridine onto polyethylenimine. The adsorption capacity for Cu2+ of the as-prepared aerogel is as high as 1.64 mmol/g (pH 5) and is maintained well in high-acidity solutions (1.15 mmol/g at pH = 2). It reveals high selectivity, splendid anti-interference ability, and also reliable on the recycle performance. Through the zeta potential tests, this adsorbent reveals a rather low zero charge point (pHpzc = 2.2). The adsorption of Cu2+ on the adsorbent is consistent with the pseudo-second-order kinetic model and the Langmuir model, suggesting that the adsorption process is dominated by chemisorption in a monolayer. The characterizations by Fourier transform infrared spectrometry and X-ray photoelectron spectroscopy proved pyridine N as responsible binding sites, based on which two possible mechanisms are proposed, including chelation and cation-π interaction. Density functional theory calculations are further used to precisely investigate the pathway. By comparing the binding energies, molecular electrostatic potentials, electron densities, and differential charge densities, the bis-pyridine N functional group is finally determined to be of much higher affinity to Cu2+ following chelation reaction as designated. By integrating bis-pyridine N with the CMC and understanding their crucial roles, this will provide significant insights into the rational design of aerogel adsorbents to enhance the recovery of Cu from strongly acidic wastewaters
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|a Journal Article
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|a PEIPD/CMC aerogel
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|a acidic wastewater
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|a adsorption mechanism
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|a chelation
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|a density functional theory
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|a Gu, Qinghua
|e verfasserin
|4 aut
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|a Ke, Xin
|e verfasserin
|4 aut
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|a Gu, Jianchao
|e verfasserin
|4 aut
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|a Shao, Huiping
|e verfasserin
|4 aut
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1992
|g 40(2024), 31 vom: 06. Aug., Seite 16430-16442
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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|g volume:40
|g year:2024
|g number:31
|g day:06
|g month:08
|g pages:16430-16442
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|u http://dx.doi.org/10.1021/acs.langmuir.4c01755
|3 Volltext
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