SAIP2012

Tranport properties of LiPF6 in PEO-PDMS polymer matrix

10 Jul 2012, 17:30

2h

IT Building

Poster Presentation Track A - Division for Condensed Matter Physics and Materials Poster Session

Speaker

Mr Thomas Kubai (SAIP)

Would you like to <br> submit a short paper <br> for the Conference <br> Proceedings (Yes / No)?

No

Main supervisor (name and email)<br>and his / her institution

Pro P. E. Ngoepe, phuti.ngoeoe@ul.ac.za

Abstract content <br> &nbsp; (Max 300 words)

Molecular dynamics simulations have been done to investigate the effect of PDMS side chain size and spacing on the diffusion of LiPF6 in PEO polymer matrix. The effect of temperature and concentration on LiPF6 diffusion in PEO-PDMS was also studied. Since Dreiding force field is not parametized for the LiPF6, it had to be edited so in can model the salt- salt and the salt- polymer interactions. The edited force field reproduce the structural parameters which compare well with literature. There is no clear evidence to suggest that side chain size and spacing has an effect on the Li+ diffusion in PEO-PDMS system. However a high diffusion of Li+ is observed for side chain length of 9 PDMS units.

Level for award<br>&nbsp;(Hons, MSc, <br> &nbsp; PhD)?

n/a

Apply to be<br> consider for a student <br> &nbsp; award (Yes / No)?

no