A combined DFT and molecular dynamics study of U(VI)/calcite interaction in aqueous solution

Lan, Jian‐Hui; Chai, Zhifang

doi:10.1016/j.scib.2017.07.007

Cited by 33 publications

(11 citation statements)

References 42 publications

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“…) is one of the most common radioactive pollutants in the environment, and the concerns about its environmental effects and threats to human health have steadily increased over time [1][2][3][4]. Hence, there is an urgent need to precisely and rapidly monitor the content of uranyl ions in environmental aqueous settings, which has resulted in the rapid development of many different uranyl detection methods, such as colorimetric methods [5][6][7], fluorescence methods [8,9], mass spectrometry [10][11][12], and electrochemistry [13,14].…”

Section: Uranyl (Uo 2 2+mentioning

confidence: 99%

The contribution of photoinduced charge-transfer enhancement to the SERS of uranyl(VI) in a uranyl-Ag2O complex

Wang

Yang

et al. 2019

Science Bulletin

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Section: Uranyl (Uo 2 2+mentioning

confidence: 99%

The contribution of photoinduced charge-transfer enhancement to the SERS of uranyl(VI) in a uranyl-Ag2O complex

Wang

Yang

et al. 2019

Science Bulletin

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“…Nuclear radiation pollution is more and more serious with the rapid development of the world’s science and technology. With energy shortages in developing countries, many of them have started to build nuclear power plants. − However, these plants also produce large amounts of liquid radioactive wastes (LRW), which seriously affect the environment and human body. In nuclear power plant accidents, LRW produce more serious damage as in the 2011 Fukushima–Daiichi nuclear power plant accident.…”

Section: Introductionmentioning

confidence: 99%

One-Pot Preparation of NaA Zeolite Microspheres for Highly Selective and Continuous Removal of Sr(II) from Aqueous Solution

Wang

Chen

et al. 2018

ACS Sustainable Chem. Eng.

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This paper describes a synthesis method and adsorption properties of geopolymer microspheres toward strontium ions; first, it was prepared by a dispersion–pelletizing–solidification (DPS) method followed by transformation into NaA zeolite microspheres (about 100 μm) through an in situ heat curing process. The adsorption experiments were investigated and the experimental data were fitted well by the pseudo-second-order kinetic model and Freundlich isotherm model. Loading experiments were performed by batch and column process techniques. The maximum adsorption capacity in the batch process was assigned to be 106.28 mg/g, the zeolite microspheres’ adsorption of strontium ions reached adsorption equilibrium in approximately 15 min. In the dynamic column, the most suitable flow rate was found to be 4 mL/min; this was higher compared with other sorbents with the same particle size. Moreover, the zeolite microspheres have a good dynamic separation effect, the concentration of the outlet Sr(II) ions from the column began to rise after 18 h with a bed height of 1.5 cm. The competitive adsorption capabilities are investigated and have the following order Na+ < Mg2+ < K+ < Ca2+, indicating that this adsorbent has a good adsorption effect in real seawater. Through the analysis of the solution after adsorption, the process is not only chemical adsorption but also ion exchange. The used adsorbents could be easily regenerated using 0.05 mol/L EDTA-2Na solution. This result showed that NaA zeolite microspheres are convenient and low-cost adsorbents for the removal of Sr(II) from liquid wastes.

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“…4c and 4d, the immobilization of U(VI) was remarkably fast for all the biochar within the initial 4 h. Then, slow equilibriums were achieved at approximately 8 h. The rapid adsorption could be due to the abundant available sites on the biochar surface, i.e. carboxyls in PBC and hydroxyls in CBC (Sun et al, 2012;Lan et al, 2017;Xie et al, 2019). The latter plateau demonstrated the gradual saturation of adsorption sites on external surface (Gu et al, 2018).…”

Section: Effect Of Contact Timementioning

confidence: 95%

Oxygen-containing groups in cellulose- and lignin-biochar: their roles in U(VI) adsorption

Liang

Feng²,

Qiu³

et al. 2022

Preprint

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The adsorption behaviors of cellulose- and lignin-biochar depend on their oxygen-containing groups to some extent. In this study, a series of cellulose- and lignin-rich biochar was prepared from pakchoi and corncob, respectively named PBC and CBC, to evaluate their adsorption properties for U(VI). The maximal adsorption capacity of PBC 300 (obtained at 300 oC) was 46.62 mg g− 1 for U(VI), which was ⁓ 1.3 times higher than that of CBC 300 (35.60 mg g− 1). U(VI) adsorption on PBC and CBC were ascribed to the coordination interaction between oxygen-containing groups and U(VI). Interestingly, the main complexation groups were different in the both biochar due to the inherent evolution of cellulose and lignin. Volatile d-glucose chains in cellulose were apt to degrade rapidly, and the formed carboxyls acted as the main adsorption sites in PBC. However, the stable aromatic network in lignin led to a slow degradation, and more hydroxyls thus remained in CBC, which controlled U(VI) adsorption. This study obtained effective adsorbents of U(VI) and provided some essential insights into understanding this evolution and structure-function relationship of biochar.

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A combined DFT and molecular dynamics study of U(VI)/calcite interaction in aqueous solution

Cited by 33 publications

References 42 publications

The contribution of photoinduced charge-transfer enhancement to the SERS of uranyl(VI) in a uranyl-Ag2O complex

The contribution of photoinduced charge-transfer enhancement to the SERS of uranyl(VI) in a uranyl-Ag2O complex

One-Pot Preparation of NaA Zeolite Microspheres for Highly Selective and Continuous Removal of Sr(II) from Aqueous Solution

Oxygen-containing groups in cellulose- and lignin-biochar: their roles in U(VI) adsorption

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