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- W2033123913 abstract "We have used molecular dynamics simulations to calculate the interfacial tension of hydroxylated SiO2 nanoparticles under different temperatures and solutions (helium and brine with monovalent and divalent salts). In order to benchmark the atomistic model, quartz SiO2 interfacial tension was measured based on inverse gas chromatography under He atmosphere. The experimental interfacial tension values for quartz were found between 0.512 and 0.617 N/m. Our calculated results for the interfacial tension of silica nanoparticles within helium atmosphere was 0.676 N/m, which is higher than the value found for the system containing He/α-quartz (0.478 N/m), but it is similar to the one found for amorphous silica surface. We have also studied the interfacial tension of the nanoparticles in electrolyte aqueous solution for different types and salts concentrations (NaCl, CaCl2, and MgCl2). Our calculations indicate that adsorption properties and salt solutions greatly influence the interfacial tension in an order of CaCl2 > MgCl2 > NaCl. This effect is due to the difference in distribution of ions in solution, which modifies the hydration and electrostatic potential of those ions near the nanoparticle." @default.
- W2033123913 created "2016-06-24" @default.
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- W2033123913 date "2012-04-28" @default.
- W2033123913 modified "2023-10-16" @default.
- W2033123913 title "Interface tension of silica hydroxylated nanoparticle with brine: A combined experimental and molecular dynamics study" @default.
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- W2033123913 doi "https://doi.org/10.1063/1.4705525" @default.
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