Density functional theory for the microscopic structure of nanoparticles at the liquid–liquid interface
| Autor: | Orest Pizio, Stefan Sokołowski |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Materials science
Interface (Java) Yukawa potential Structure (category theory) General Physics and Astronomy Nanoparticle 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Chemical physics Liquid liquid Density functional theory Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | Physical Chemistry Chemical Physics. 21:3073-3082 |
| ISSN: | 1463-9084 1463-9076 |
| DOI: | 10.1039/c8cp07449f |
| Popis: | We propose an extension of the density functional approach to study the structure and thermodynamic properties of a system comprising a certain amount of nanoparticles at the interface between two partially miscible liquids. Model calculations have been carried out for a binary symmetric mixture of Yukawa fluids and hard-sphere nanoparticles. Despite its simplicity, the model captures the principal features of this type of system. The results indicate that nanoparticles form layers and the number of layers depends on the amount of nanoparticles and on their diameters. For the systems studied the formation of the layers evidences strong localization of the nanoparticles at the interface. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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