1-8 July 2022
Virtual Conference
Africa/Johannesburg timezone
If you were unable to submit your Supervisor Forms for the SAIP2022 Proceedings, please mail it to tebogo.mokhine@saip.org.za . Also indicate your abstract or contribution ID.

Investigation of Structural and Dynamical Properties of Sperrylite (PtAs2) Mineral Based on Molecular Dynamics Simulations

Not scheduled
2h 30m
Zoom Platform (Virtual Conference)

Zoom Platform

Virtual Conference

Poster Presentation Track A - Physics of Condensed Matter and Materials Poster Session

Speaker

Thapelo Ntobeng

Description

The precious metals are extracted as valuable by-products from sulphides and arsenides- platinum group minerals (PGMs). The growing use of precious metals in the mineral processing industry has developed a deep interest in extracting them from the PGMs. In this study, computational modelling technique, molecular dynamics (MD) is applied to investigate structural and physical properties of sperrylite (PtAs2). The derived and validated Interatomic potentials for MD simulations will be used. Radial distribution functions (RDFs) and mean square displacement (MSD) are used to establish the effect of temperature and pressure on the sperrylite mineral. Simulation details, such as the convergence of results on the simulation time and transport properties, are also discussed. The understanding of the structural and dynamical properties of sperrylite mineral under extreme conditions could pave the way for research on the behaviour of arsenic-containing minerals and sulphide minerals.

Level for award;(Hons, MSc, PhD, N/A)?

MSc

Apply to be considered for a student ; award (Yes / No)? Yes

Primary author

Thapelo Ntobeng

Co-authors

Mofuti Mehlape (University Of Limpopo) peace prince mkhonto (University of Limpopo) Phuti Ngoepe (University of Limpopo)

Presentation Materials

There are no materials yet.