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Title:
Simulations of solutions of CS2 in ionic liquids

Date & Time : Tuesday 7th  March, 2017 at 3:00 PM

Venue : SSCU Auditorium

Abstract:
The aim of these simulations is to look at the local environment of solutions in ionic liquids and to use the results 
to help in the interpretation of liquid spectroscopy - in particular Optical Kerr Effect spectroscopy. This technique
 gives low frequency spectra of liquids and is analogous to dielectric spectroscopy. CS2 is often used as a probe. 
In order to find the local structure at a molecular level it was necessary to construct a good model for the 
electrostatics of CS2, which was done by my colleague, Professor Stone. I compare the results with the new charged
 and polarisable models and older uncharged models. Polarizability does not seem to be important for realistic models, 
but including charges makes a significance difference. I shall show the local liquid structure and give data 
on the distribution of electric fields at the solute molecules.

ALL ARE CORDIALLY INVITED TO ATTEND
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