Speaker
Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?
Yes
Please indicate whether<br>this abstract may be<br>published online<br>(Yes / No)
Yes
Apply to be<br> considered for a student <br> award (Yes / No)?
No
Abstract content <br> (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>
The interaction of water molecules with sulphide nanoparticles has a variety of important geological and technological processes. Nanoparticles have been the area of active research in the recent years due to their unique material properties, which distinguish them from the bulk material. Computational modelling method, molecular dynamics (MD) was performed to provide atomic or molecular level insights of the structural and dynamics of sulphides nanoparticles. MD provides an alternative to experimental approaches for analysis of the interaction between nanoparticles and water molecules. Radial distribution functions, density profiles, and phase changes were calculated to study the effect of water on the nanoparticles. We found that nanoparticles are stabilized in the presence of water, as compared to nanoparticles in vacuum, which undergoes structural changes.
Main supervisor (name and email)<br>and his / her institution
Prof. Phuti Ngoepe
phuti.ngoepe@ul.ac.za
University of Limpopo
Level for award<br> (Hons, MSc, <br> PhD, N/A)?
N/A
