A combined experimental and computational modeling study on adsorption of propionic acid onto silica-embedded NiO/MgO nanoparticles
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DOI: 10.1016/j.cej.2017.06.126
Abstract: Abstract Adsorption of propionic acid (PA) onto silica-embedded NiO/MgO nanoparticles (i.e., SiO2-NiO, SiO2-MgO, and SiO2-(Ni0.5Mg0.5)O) was investigated experimentally and theoretically by carrying out computational modeling through molecular mechanics, density functional theory (DFT) calculations, and molecular… read more here.
Keywords: adsorption; adsorption propionic; computational modeling; nio mgo ... See more keywords