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Adsorption structures and bonding states of cesium and barium adsorbed on various sites of vermiculite.
Sci Total Environ
January 2025
Department of Earth and Planetary Science, Graduate School of Science, The University of Tokyo, Bunkyo, Tokyo 113-0033, Japan; Isotope Science Center, The University of Tokyo, Bunkyo, Tokyo 113-0032, Japan. Electronic address:
The adsorption reaction on clay minerals is crucial for understanding the environmental behavior of various cations, including cesium (Cs). However, its details remain unclear because of multiple adsorption sites of the clay minerals, a significant difference between concentrations in the atomic-scale experiments and the actual environment, and difficulties of evaluating bonding states of the adsorbed cations. It is expected that systematic experiments at the atomic-scale with a wide concentration range and application of density functional theory (DFT) calculations overcome the problems and bring crucial insights to link laboratory experiment results with environmental sample analysis.
View Article and Find Full Text PDFA twofold interpenetrated three-dimensional barium(II) metal-organic framework constructed from 2,2'-[terephthaloylbis(azanediyl)]diacetate: synthesis, structure, dihydrogen bonding and spectroscopic properties.
Acta Crystallogr C Struct Chem
January 2025
College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241000, People's Republic of China.
A new twofold interpenetrated 3D metal-organic framework (MOF), namely, poly[[μ-aqua-diaqua{μ-2,2'-[terephthaloylbis(azanediyl)]diacetato}barium(II)] dihydrate], {[Ba(CHNO)(HO)]·2HO}, (I), has been assembled through a combination of the reaction of 2,2'-[terephthaloylbis(azanediyl)]diacetic acid (TPBA, HL) with barium hydroxide and crystallization at low temperature. In the crystal structure of (I), the nine-coordinated Ba ions are bridged by two μ-aqua ligands and two carboxylate μ-O atoms to form a 1D loop-like Ba-O chain, which, together with the other two coordinated water molecules and μ-carboxylate groups, produces a rod-like secondary building unit (SBU). The resultant 1D polynuclear SBUs are further extended into a 3D MOF via the terephthalamide moiety of the ligand as a spacer.
View Article and Find Full Text PDFFabrication, structural, physical, optical characteristics and γ-ray attenuation capacity of borosilicate glasses doped with GdO.
Sci Rep
December 2024
Department of Physics, Faculty of Science, Menoufia University, Shebin El-Koom, Menoufia, 32511, Egypt.
Article Synopsis
- Barium fluoride borosilicate glass samples, reinforced with varying amounts of GdO, were created to study their structural, physical, and optical properties as well as their ability to attenuate γ-rays.
- X-ray diffraction confirmed the glasses were amorphous, and did show slight increases in density and molar volume with more GdO.
- UV-Vis spectra indicated increased absorbance and shifts in optical properties, suggesting that these materials could be useful for opto-electronic devices and radiation shielding.
Characterizing major and trace element concentrations, and radioactivity in bulk glass samples from the trinity atomic test.
J Environ Radioact
December 2024
1 Kiowa Lane, White Rock, NM, 87547, USA.
Glass fragments (16 green glasses and 2 red glasses) were handpicked from crushed Trinitite. X-ray diffraction studies revealed that these samples were essentially pure glass with the exception of minor amounts (less than 4 wt%) of quartz (which acts as a diluent) in some samples. The concentrations of 45 elements in the Trinity glasses were determined using Instrumental Neutron Activation Analysis.
View Article and Find Full Text PDFThe Molecular Design of a Macrocycle Descaling Agent Based on Azacrown and the Mechanism of Barium Sulfate Scale Removal.
Molecules
October 2024
State Key Laboratory of Deep Oil and Gas, China University of Petroleum (East China), Qingdao 266580, China.
The formation of barium sulfate scale is a persistent and formidable challenge across various industrial processes. In order to effectively mitigate this problem, this study proposed the development of an innovative azacrown ether-based macrocycle descaling agent. Using density functional theory, an in-depth analysis of the surface energy of different barium sulfate crystal facets was carried out, together with a detailed investigation into the adsorption properties of the functional groups on the (001) surface.
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