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2017 | 131 | 3 | 490-494
Article title

Thermodynamic Properties of Potassium Oxide (K₂O) Nanoparticles by Molecular Dynamics Simulations

Content
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EN
Abstracts
EN
Potassium oxide (K₂O) is a reagent for testing the presence of other compounds in chemical reactions. It is also used in compounding cement and in glass making. However properties of K₂O in nanoscale are still unclear. In this work, thermodynamic properties of spherical K₂O nanoparticles have been investigated. Size dependent cohesive energy, melting point and glass transition temperature have been computed for different sizes of K₂O nanoparticles by molecular dynamics simulations. Thermal expansion coefficients of nanoparticles at zero pressure and various temperatures have been also calculated. Melting point depression for K₂O nanoparticles was determined. The significant change in cohesive energy was obtained for particles smaller than 5.4 nm. The presented model is successful in understanding the size-dependent thermodynamics of spherical K₂O nanoparticles. Theoretical investigations of the thermal properties of K₂O nanoparticles have not been presented previously.
Keywords
EN
Year
Volume
131
Issue
3
Pages
490-494
Physical description
Dates
published
2017-03
References
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.bwnjournal-article-appv131n344kz
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