| Issue |
MATEC Web Conf.
Volume 388, 2023
2023 RAPDASA-RobMech-PRASA-AMI Conference Advanced Manufacturing Beyond Borders - The 24th Annual International RAPDASA Conference joined by RobMech, PRASA and AMI, hosted by CSIR and CUT
|
|
|---|---|---|
| Article Number | 07015 | |
| Number of page(s) | 6 | |
| Section | Computational & Data-driven Modelling | |
| DOI | https://doi.org/10.1051/matecconf/202338807015 | |
| Published online | 15 December 2023 | |
The size and temperature effect on titanium Ti7 cluster in β-TiCl3 medium
Materials Modelling Centre, University of Limpopo, Private bag X1106, Sovenga 0727, South Africa
* Corresponding author: andileZibu@gmail.com
In the Kroll process, the reduction process results in the production of intermediates such as titanium trichloride (TiCl3) and titanium dichloride (TiCl2). There has been experimental work on developing a continuous reduction process using TiCl3 and TiCl2. However, more investigations still need to be done to understand these mediums and their interactions. In this paper, we will be investigating one TiCl3 polymorph as a potential medium for titanium production. We employ the DL_POLY code to understand the effect of temperature on the Ti7 cluster using a stable β-TiCl3 medium. It was observed from the total energies that the system is stable at 50 – 700 K. The diffusion coefficient results showed that the Ti7 nanocluster diffuses faster than Ti and Cl at 1300 – 2000 K.
© The Authors, published by EDP Sciences, 2023
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.
Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.
Initial download of the metrics may take a while.