Naujienos ir renginiai

2019-09-27, 13:30 NFTMC D401 auditorijoje vyks Jungtinis cheminės fizikos seminaras:

 

Experimental and modelling studies of binary mixtures: how Molecular Dynamics simulations can help in understanding unexpected chemical-physical properties
Pranešėjas: Francesca Mocci (University of Cagliari, Italy)

 

Liquid mixtures are of widespread use in many areas of chemistry, e.g. as solvents in chemical synthesis or separation sciences. In this talk I will present two examples of combined experimental and computational studies of binary mixtures. In the first, we use a combined experimental and modelling approach to study the structural organization of N-methyl-2-pyrrolidone + water mixtures. In the second one, I will present a combined NMR-MD approach aimed at understanding the solvation of the [PtCl₆]^2– anion in Water–Methanol and Water–Dimethoxyethane Binary Mixtures, and in particular why the ¹⁹⁵Pt NMR varies with the organic component fraction in a very different way depending on the organic solvent used in the binary mixture.

Organizuoja: MDFS (FTMC) ir Cheminės fizikos institutas (FF, VU).
Kontaktai: marijonas.tutkus@ftmc.lt ir kestutis.aidas@ff.vu.lt