A Density Functional Theory study is performed to analyze both bulk and interfacial properties of solvent-polymer binary mixtures. The effects of increasing polymer chain length on the bulk phase diagram morphology and interfacial tension are presented and compared to the prior simulation results. Good agreement between simulation and Density Functional Theory is found, including its ability to reproduce the density inversion phenomenon for highly asymmetric solvent-polymer binary mixtures. The data on the interfacial tensions is used to compute contact angles of the mixture at a planar wall, with particular focus on the wetting transition. The dependence of the wetting temperature on the polymer chain length and the mixture composition is analyzed in detail.
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http://dx.doi.org/10.1039/d1sm01722e | DOI Listing |
Ecotoxicology
January 2025
Ecotoxicology Research group, School of Science, RMIT University, Melbourne, VIC, Australia.
Pharmaceuticals, including non-steroidal anti-inflammatory drugs (NSAIDs) like ibuprofen (IBU) and naproxen (NPX), are widely used for medical purposes but have also become prevalent environmental contaminants. However, there is limited understanding of their effects on aquatic organisms, especially regarding multigenerational and mixture exposures. This study aimed to evaluate the toxicological impacts of ibuprofen and naproxen, individually and in combination, on three generations of Daphnia carinata, a freshwater organism.
View Article and Find Full Text PDFACS Nano
January 2025
Key Laboratory of Hydraulic Machinery Transients, Ministry of Education, School of Power and Mechanical Engineering, Wuhan University, Wuhan 430072, China.
Metal nanocatalysts supported on oxide scaffolds have been widely used in energy storage and conversion reactions. So far, the main research is still focused on the growth, density, size, and activity enhancement of exsolved nanoparticles (NPs). However, the lack of precise regulation of the type and composition of NPs elements under reduction conditions has restricted the architectural development of in situ exsolution systems.
View Article and Find Full Text PDFLangmuir
January 2025
Center for Environmental Process Engineering, Department of Chemical Engineering and Polymer Science, Shahjalal University of Science and Technology, Sylhet 3114, Bangladesh.
Precise prediction of adsorption in a multicomponent system is vital for successful design of dye-contaminated industrial wastewater treatment processes. The present work looks for the reason behind the failure of the competitive Langmuir model (CLM) to describe adsorption in such systems, while the Langmuir model (LM) successfully describes the process for a single dye solution. With that end, derivations of LM and CLM have been revisited, and a criterion for the universality of active sites has been defined.
View Article and Find Full Text PDFEnviron Sci Pollut Res Int
December 2024
Department of Chemistry, National Institute of Technology, Silchar, 788010, Assam, India.
In this work, Terminalia chebula leaf extract was used to synthesize CuO-CoO nanoparticles, which were then embedded in a rice straw biochar. This new biochar-based nano-catalyst is used to photocatalytically degrade a variety of dyes (Eosin Y, Trypan Blue, Crystal Violet, Methylene Blue, Brilliant Green), as well as a binary mixture of Eosin Y and Trypan Blue dyes. It is also used for the catalytic reduction of nitro compounds (4-NP, 3-NP, and Picric acid).
View Article and Find Full Text PDFPhotochem Photobiol
December 2024
Institute of Chemistry, State University of Campinas, Campinas, São Paulo, Brazil.
Given that non-equilibrium molecular motion in thermal gradients is influenced by both solute and solvent, the application of spectroscopic methods that probe each component in a binary mixture can provide insights into the molecular mechanisms of thermal diffusion for a large class of systems. In the present work, we use an all-optical setup whereby near-infrared excitation of the solvent leads to a steady-state thermal gradient in solution, followed by characterization of the non-equilibrium system with electronic spectroscopy, imaging, and intensity. Using rhodamine B in water as a case study, we perform measurements as a function of solute concentration, temperature, wavelength, time, near-infrared laser power, visible excitation wavelength, and isotope effect.
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