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Adsorption Structure and Selectivity of Phenols in Water-Immersed Organomontmorillonite Investigated by Molecular Simulation.
Langmuir
January 2025
Department of Environmental Chemistry and Chemical Engineering, School of Advanced Engineering, Kogakuin University, 2665-1 Nakano, Tokyo, Hachioji 192-0015, Japan.
The two-dimensional interlayer space of layered materials has been highlighted due to their adsorption property, whose nanostructure in the water-immersed state is scarcely understood by experiment. Recent developments in molecular simulation have enabled researchers to investigate the interlayer structure, but water content is necessary for accurate modeling. In the present study, we proposed a theoretical method to estimate the saturated water content and adsorption selectivity of trichlorophenol and phenol in montmorillonite modified with hexadecyltrimethylammonium ions.
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Key Laboratory for Nonferrous Vacuum Metallurgy of Yunnan Province, Kunming University of Science and Technology, Kunming 650093, China.
The industrial application of polymer electrolyte membrane fuel cells is limited by the high cost of platinum catalysts. In this study, we developed a one-step synthesis strategy for low-platinum alloy catalysts based on crystal-structure predictions. Using this method, we successfully prepared a low-platinum alloy catalyst, i.
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ACS Omega
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Centro Federal de Educação Tecnológica de Minas Gerais, CEFET-MG, Av. Amazonas 5253, 30421-169 Belo Horizonte, Minas Gerais, Brazil.
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Division of Chemical Engineering, Department of Materials Engineering Science Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan.
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January 2025
Chemical Process Engineering (AVT.CVT), RWTH Aachen University, Forckenbeckstr. 51, 52074, Aachen, Germany.
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