Simple Molecules Ain't So Simple
- Event time: 1:00pm
- Event date: 16th June 2003
- Speaker: Simon Bates (Formerly School of Physics & Astronomy, University of Edinburgh)
- Location: Room 2511, James Clerk Maxwell Building (JCMB) James Clerk Maxwell Building Peter Guthrie Tait Road Edinburgh EH9 3FD GB
In this talk I will present results from two of this year's MPhys project students, on the atomistic simulation of liquid mixtures of water and methanol, using classical and ab initio molecular dynamics methods. After a brief, but necessary excursion into the problems of simulating water, I will present some results that confirm recent experimental suggestions that concentrated methanol-water mixtures exhibit 'microimmiscibility'. The water exists in pockets that are effectively hydrated in methanol, retaining local structural features similar to pure water. High pressure simulations indicate that these water clusters persist and coalesce.
This is a weekly series of informal talks given primarily by members of the soft condensed matter and statistical mechanics groups, but is also open to members of other groups and external visitors. The aim of the series is to promote discussion and learning of various topics at a level suitable to the broad background of the group. Everyone is welcome to attend..