[Todos] Seminarios DQIAyQF INQUIMAE- Lunes 9 de Octubre, 13h.
sara elizabeth bari
bari en qi.fcen.uba.ar
Vie Oct 6 13:59:51 ART 2006
Seminarios del Dpto. de Química Inorgánica, Analítica y Química Física / INQUIMAE
FCEyN - Universidad de Buenos Aires
http://www.qi.fcen.uba.ar/es
2do. Cuatrimestre, 2006
Lunes 9 de Octubre, 13.00h
Aula Seminarios, DQIAyQF- INQUIMAE
Ciudad Universitaria, Pab. II, Piso 3
Prof R.M. Lynden-Bell
Emeritus Professor, Queen's University Belfast
University Chemical Laboratory
tel: (+44) 1223 336535
Lensfield Road Cambridge CB2 1EW
email: rmlb en cam.ac.uk
Why is water unusual? Studies of modified water models
The properties of water can be described reasonably well by simple model intermolecular potentials with site charges and a Lennard-Jones centre. By modifying the potential parameters one can make families of liquids with weaker hydrogen bonds, with altered network structures or isotropic molecules with the same 2-body correlations. Teresa Head-Gordon, Pablo Debenedetti and I have been studying properties of these liquids in order to determine the importance of hydrogen-bond strength, network structure etc. We find some surprises - for example hydrophobic solutes are more soluble in water than in liquids with weaker hydrogen bonds and the dielectric constants increase as the geometry of the network structure is changed.
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