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Lead Adsorption and Desorption at the Barite (001) Surface in the Presence of EDTA.
ACS ES T Water
January 2025
School of Earth and Environmental Sciences, Queens College, City University of New York, Queens, New York 11367, United States.
Scaling minerals, such as barite, can cause detrimental consequences for oil/gas pipelines and water systems, but their formation can be inhibited by organic chelators such as ethylenediaminetetraacetic acid (EDTA). Here, we resolve how EDTA affects sorption and desorption of Pb at the barite (001) surface using a combination of X-ray scattering and microscopy measurements. In the presence of EDTA, Pb incorporated in the topmost part of the barite surface and adsorbed as inner-sphere complexes on the surface.
View Article and Find Full Text PDFInsight into photocatalytic CO reduction on TiO-supported Cu nanorods: a DFT study on the reaction mechanism and selectivity.
Phys Chem Chem Phys
January 2025
State Key Laboratory of Green Chemical Engineering and Industrial Catalysis, Center for Computational Chemistry and Research Institute of Industrial Catalysis, School of Chemistry & Molecular Engineering, East China University of Science and Technology, Shanghai 200237, China.
Photoreduction of CO into hydrocarbons is a potential strategy for reducing atmospheric CO and effectively utilizing carbon resources. Cu-deposited TiO photocatalysts stand out in this area due to their good photocatalytic activity and potential methanol selectivity. However, the underlying mechanism and factors controlling product selectivity remain less understood.
View Article and Find Full Text PDFMolecular Design for Dual Circularity: Polyester with Complementary Mechanical and Chemical Recyclability under Mild Conditions.
Angew Chem Int Ed Engl
January 2025
KTH Royal Institute of Technology: Kungliga Tekniska Hogskolan, Department of Fibre and Polymer Technology, SWEDEN.
The plastic waste accumulation requires facile yet effective solutions. Currently mechanical recycling typically leads to downcycling, while the environmental footprint of chemical recycling is often unacceptable. Here, we introduce a dual circularity concept, where rational molecular design paves the way for complementary closed-loop mechanical and chemical recyclability under mild conditions.
View Article and Find Full Text PDFOn the occurrence, behaviour, and fate of naphthenic acid fraction compounds in aquatic environments.
Sci Total Environ
January 2025
Department of Civil, Geological and Environmental Engineering, University of Saskatchewan, 57 Campus Dr, Saskatoon, Saskatchewan S7N 5A9, Canada; University of Lethbridge, Office of the Vice President (Research), Lethbridge, Alberta, Canada. Electronic address:
Naphthenic acids and naphthenic acid fraction compounds (NAFCs) are associated with production of unconventional petroleum resources, especially the Athabasca Oil Sands of Alberta, Canada. This complex mixture of acidic organic compounds is toxic to a variety of taxa, and so represents an important environmental management challenge. Thus, there is clear motivation to better understand the occurrence and characteristics of NAFCs in aquatic environments, their chemical behaviour, and environmental fate.
View Article and Find Full Text PDFAtomistic dynamics of elimination and substitution driven by entrance channel.
J Chem Phys
January 2025
Key Laboratory of Chemistry and Chemical Engineering on Heavy-Carbon Resources, School of Chemistry and Chemical Engineering, Yili Normal University, Yining 835000, People's Republic of China.
E2 elimination and SN2 substitution reactions are of central importance in preparative organic synthesis due to their stereospecificity. Herein, atomistic dynamics of a prototype reaction of ethyl chloride with hydroxide ion are uncovered that show strikingly distinct features from the case with fluoride anion. Chemical dynamics simulations reproduce the experimental reaction rate and reveal that the E2 proceeding through a direct elimination mechanism dominates over SN2 for the hydroxide ion reaction.
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