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

Guder, V.; Senturk Dalgic, S.

doi:10.12693/APhysPolA.131.490

Journal

Acta Physica Polonica A

2017 | 131 | 3 | 490-494

Article title

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

Authors

V. Guder , S. Senturk Dalgic

Content

Full texts:

http://przyrbwn.icm.edu.pl/APP/PDF/131/a131z3p44.pdf [remote]

Title variants

Languages of publication

Abstracts

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

65.80.-g

Discipline

65.80.-g: Thermal properties of small particles, nanocrystals, nanotubes, and other related systems

Publisher

Institute of Physics, Polish Academy of Sciences

Journal

Acta Physica Polonica A

Year

2017

Volume

131

Issue

Pages

490-494

Physical description

Dates

published

2017-03

Contributors

author

V. Guder

Trakya University, Faculty of Science, Department of Physics, Balkan Campus, 22030 Edirne, Turkey

author

S. Senturk Dalgic

Trakya University, Faculty of Science, Department of Physics, Balkan Campus, 22030 Edirne, Turkey

References

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Document Type

Publication order reference

Identifiers

DOI

10.12693/APhysPolA.131.490

YADDA identifier

bwmeta1.element.bwnjournal-article-appv131n344kz