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Speakers: Ivo Nezbeda (Katedra chemie, Přírodověd. fakulta J.E. Purkyně, Ústí nad Labem a Termodynamická laboratoř E. Hály, ÚCHP AV ČR, v.v.i. )
Place: Na Slovance, main lecture hall
Presented in English
Organisers:
Department of Condensed Matter Theory
Abstract:
Modern molecular physics of fluids came into existence thanks to molecular simulations which made it possible to discover main molecular mechanisms governing the behavior of fluids at the molecular level. These mechanisms will be discussed first within the context of those of the solid and gaseous phases; general, but out-of-date stat mech methods will also be briefly mentioned.
Presentation of modern methods will focus on the relation between realistic Hamiltonians and non-speculative modeling. Resulting simple models (the so called primitive models) (i) are emenable to a theoretical treatment, (ii) elucidate the properties of fluid systems, and (iii) form the basis for developing theory from first principles.
Since molecular simulations have become an indispensable tool of the fluid phase research, examples of their application to chemical engineering problems and process design will also be presented.
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